Geometry & MOs

Info

ID:	220157
PubChem CID:	85165306
Reduced:	O2N4C39H44 (1)
Stoich.:	A2B4C39D44 (1)
Weight, g/mol:	661.88137
ΔH_f, kcal/mol:	155.02
Dipole, Da:	3.36
IP(EA), eV:	-8.16(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-diacetyloxy-5-(2-chloro-5,6-diiodobenzimidazol-1-yl)oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC23C(C4=C(C(=C(N4)C=C5C(=C(C(=CC6=NC(=CC(=N2)C(=C3C)C)C(=C6C)C)N5)C)C)C)C)CC(=O)OC

DOS

IR

Vibrations