Geometry & MOs

Info

ID:

7114

PubChem CID:

71247

Reduced:

I6N6O16C35H44 (1)

Stoich.:

A6B6C16D35E44 (1)

Weight, g/mol:

1565.7082

ΔHf, kcal/mol:

-504.92

Dipole, Da:

17.53

IP(EA), eV:

 -7.78(-2.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[3-[3,5-bis(1,3-dihydroxypropan-2-ylcarbamoyl)-N-(2-hydroxyethyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2-hydroxyethyl)amino]-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)C(=O)CC(=O)N(CCO)C2=C(C(=C(C(=C2I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I

DOS

IR

Vibrations