Geometry & MOs

Info

ID:	392552
PubChem CID:	135017137
Reduced:	SN3O8C26H47 (1)
Stoich.:	AB3C8D26E47 (1)
Weight, g/mol:	1114.60055
ΔH_f, kcal/mol:	-452.06
Dipole, Da:	3.05
IP(EA), eV:	-8.57(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,7S,9R,13S,15Z,17E,20S,21R,25S)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(2S,3R,4E,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-9-iodo-5-methylnona-4,6,8-trien-2-yl]-13-methoxy-2,20,23,23,25-pentamethyl-6,22,24-trioxabicyclo[19.3.1]pentacosa-15,17-dien-5-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)CNC(=O)[C@](C)(CSC(C)(C)C)NC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)CNC(=O)[C@](C)(CSC(C)(C)C)NC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):