Geometry & MOs

Info

ID:

215167

PubChem CID:

85084297

Reduced:

O13C39H58 (1)

Stoich.:

A13B39C58 (1)

Weight, g/mol:

734.410209

ΔHf, kcal/mol:

-641.03

Dipole, Da:

3.62

IP(EA), eV:

 -9.56(0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[17-[N-[4-[bis(carboxymethyl)amino]butoxy]-C-methylcarbonimidoyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxybutyl-(carboxymethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)OC)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C

DOS

IR

Vibrations