Geometry & MOs

Info

ID:

223314

PubChem CID:

85334844

Reduced:

N19O25C69H119 (1)

Stoich.:

A19B25C69D119 (1)

Weight, g/mol:

1623.94

ΔHf, kcal/mol:

-1260.18

Dipole, Da:

20.42

IP(EA), eV:

 -9.44(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-[1,3-bis[3-(3-amino-2,4,6-triiodophenyl)propanoyloxy]propan-2-yl] 1-O-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pentanedioate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CNC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CC(=O)N)N

DOS

IR

Vibrations