Geometry & MOs

Info

ID:

223312

PubChem CID:

85334842

Reduced:

NI3O4C26H34 (2)

Stoich.:

AB3C4D26E34 (2)

Weight, g/mol:

1611.1639

ΔHf, kcal/mol:

-321.08

Dipole, Da:

7.17

IP(EA), eV:

 -8.46(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[1-[7-(3-amino-2,4,6-triiodophenyl)heptanoyloxy]-3-[7-(3,4-diamino-2,6-diiodophenyl)heptanoyloxy]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)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)OCC(CCOC(=O)CC5=C(C(=C(C=C5I)I)N)I)OC(=O)CCC6=C(C(=C(C=C6I)I)N)I)C)C

DOS

IR

Vibrations