Geometry & MOs

Info

ID:	382554
PubChem CID:	134973792
Reduced:	NSO9C33H47 (1)
Stoich.:	ABC9D33E47 (1)
Weight, g/mol:	772.440187
ΔH_f, kcal/mol:	-294.27
Dipole, Da:	9.6
IP(EA), eV:	-9.28(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,6R,7E,13R,16S,17S,21R,22R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-17,28-bis(methoxymethoxy)-3,22-dimethyl-15-trimethylsilyl-24,27-dioxapentacyclo[23.2.1.01,6.013,22.016,21]octacosa-4,7,14,25(28)-tetraene-23,26-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

CCCCC12C(CC(N1C(=O)OC(C)(C)C)C(C(=O)C2CCOS(=O)(=O)C3=CC=C(C=C3)C)[C@H](C)C4=CC=CO4)OCOC

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

CCCCC12C(CC(N1C(=O)OC(C)(C)C)C(C(=O)C2CCOS(=O)(=O)C3=CC=C(C=C3)C)[C@H](C)C4=CC=CO4)OCOC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):