Geometry & MOs

Info

ID:

180908

PubChem CID:

76702660

Reduced:

O3C37H58 (1)

Stoich.:

A3B37C58 (1)

Weight, g/mol:

715.462345

ΔHf, kcal/mol:

-189.86

Dipole, Da:

4.32

IP(EA), eV:

 -9.56(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[3a-[(4,4-difluorocyclohexyl)carbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)C(=O)CC(C)(C)C6CC6)C)C)(C)C)O)C

DOS

IR

Vibrations