Geometry & MOs

Info

ID:

180907

PubChem CID:

76702659

Reduced:

O2C20H31 (2)

Stoich.:

A2B20C31 (2)

Weight, g/mol:

550.438596

ΔHf, kcal/mol:

-266.5

Dipole, Da:

2.52

IP(EA), eV:

 -9.64(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3a-(3-cyclopropyl-3-methylbutanoyl)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-2-one

Drug info:

PubChemData

Smile

CC(C)C1=C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)C(=O)CCC6CCCCC6)C)C)(C)C)OC(=O)C)C

DOS

IR

Vibrations