Geometry & MOs

Info

ID:	148906
PubChem CID:	53788576
Reduced:	CH2 (34)
Stoich.:	AB2 (34)
Weight, g/mol:	818.9011
ΔH_f, kcal/mol:	-140.35
Dipole, Da:	0.15
IP(EA), eV:	-9.48(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[acetyl(4,5-dihydroxypentyl)amino]-3-N-(1,3-dihydroxypropan-2-yl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC/C=C/CCCCCCCCCCCCCCC

DOS

IR

Vibrations