Geometry & MOs

Info

ID:

186463

PubChem CID:

77437344

Reduced:

ClO2C38H53 (1)

Stoich.:

AB2C38D53 (1)

Weight, g/mol:

488.341932

ΔHf, kcal/mol:

-118.26

Dipole, Da:

6.01

IP(EA), eV:

 -9.57(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

phosphanyl 5a,5b,8,8,11a-pentamethyl-9-oxo-1-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

Drug info:

PubChemData

Smile

CCC12CCC(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC=C(C5(C)C)C6=C(C=C(C=C6)C(=O)O)Cl)C)C)C(=C)C

DOS

IR

Vibrations