Geometry & MOs

Info

ID:

220046

PubChem CID:

85165182

Reduced:

NPSiO6C34H62 (1)

Stoich.:

ABCD6E34F62 (1)

Weight, g/mol:

639.52266

ΔHf, kcal/mol:

-392.9

Dipole, Da:

7.22

IP(EA), eV:

 -8.41(0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[(9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carbonyl)amino]undecanoic acid

Drug info:

PubChemData

Smile

CCCCP(=C(C(=O)OCC=C)N1C(C(C1=O)C(C)O[Si](C)(C)C(C)(C)C)CC(=O)C2CCCO2)(CCCC)CCCC

DOS

IR

Vibrations