Geometry & MOs

Info

ID:

177470

PubChem CID:

76189871

Reduced:

O6N7C36H55 (1)

Stoich.:

A6B7C36D55 (1)

Weight, g/mol:

576.361488

ΔHf, kcal/mol:

-262.18

Dipole, Da:

6.87

IP(EA), eV:

 -9.16(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-carboxy-3-fluorophenyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC1C2N1C(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C3CCCN3C2C(=O)NC(C)(C)C)CC(C)C)CC4=CC=CC=C4

DOS

IR

Vibrations