Geometry & MOs

Info

ID:

223304

PubChem CID:

85334834

Reduced:

SO18N19C72H121 (1)

Stoich.:

AB18C19D72E121 (1)

Weight, g/mol:

1579.9026

ΔHf, kcal/mol:

-866.49

Dipole, Da:

19.82

IP(EA), eV:

 -8.43(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[1,3-bis[3-(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] butanedioate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C2CCCN2C(=O)C(CCC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CCSC)N

DOS

IR

Vibrations