Geometry & MOs

Info

ID:

170378

PubChem CID:

75224263

Reduced:

O34N36C107H188 (1)

Stoich.:

A34B36C107D188 (1)

Weight, g/mol:

484.35526

ΔHf, kcal/mol:

-1711.33

Dipole, Da:

8.36

IP(EA), eV:

 -9.21(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-hydroxy-2-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methyl-5-methylideneheptanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(C(C)O)NC(=O)CNC(=O)CNC(=O)C(C(C)C)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN

DOS

IR

Vibrations