Geometry & MOs

Info

ID:

504

PubChem CID:

2888

Reduced:

O7C30H42 (1)

Stoich.:

A7B30C42 (1)

Weight, g/mol:

514.293054

ΔHf, kcal/mol:

-301.44

Dipole, Da:

8.91

IP(EA), eV:

 -8.89(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione

Drug info:

PubChemData

Smile

CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C

DOS

IR

Vibrations