Geometry & MOs

Info

ID:

223311

PubChem CID:

85334841

Reduced:

SO19N21C71H125 (1)

Stoich.:

AB19C21D71E125 (1)

Weight, g/mol:

1609.9244

ΔHf, kcal/mol:

-953.88

Dipole, Da:

12.12

IP(EA), eV:

 -8.94(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[4-[2-(3-amino-2,4,6-triiodophenyl)acetyl]oxy-2-[3-(3-amino-2,4,6-triiodophenyl)propanoyloxy]butyl] 4-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] butanedioate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CS)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C(C)O)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations