Geometry & MOs

Info

ID:

189316

PubChem CID:

77840373

Reduced:

SN2O6C20H28 (1)

Stoich.:

AB2C6D20E28 (1)

Weight, g/mol:

646.481264

ΔHf, kcal/mol:

-241.99

Dipole, Da:

4.25

IP(EA), eV:

 -8.82(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[6a-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-1,8-dienyl]-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]pentanoate

Drug info:

PubChemData

Smile

CC(CC1(CN2C(S1)C(C2=O)CO)C(=O)OCOC(=O)C(C)(C)C)N3C=CC=C3

DOS

IR

Vibrations