Geometry & MOs

Info

ID:	400165
PubChem CID:	135046141
Reduced:	NSi3O8C34H53 (1)
Stoich.:	AB3C8D34E53 (1)
Weight, g/mol:	692.410831
ΔH_f, kcal/mol:	-312.13
Dipole, Da:	3.64
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R,7E,9R,12S,15S,17S)-17-[tert-butyl(diphenyl)silyl]oxy-1,9-dihydroxy-8,10,10,12,14-pentamethyl-5-propyl-4,19-dioxabicyclo[13.3.1]nonadec-7-ene-3,11-dione

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

CC[Si](CC)(CC)OC\12C=C(C(=C(/C1=C\CO[Si](C)(C)C)[C@H](C#C/C=C\C#C2)O[Si](C)(C)C)NC(=O)OC)OC(=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

CC[Si](CC)(CC)OC\12C=C(C(=C(/C1=C\CO[Si](C)(C)C)[C@H](C#C/C=C\C#C2)O[Si](C)(C)C)NC(=O)OC)OC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):