Geometry & MOs

Info

ID:	327634
PubChem CID:	126690572
Reduced:	SO3N4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	432.09099
ΔH_f, kcal/mol:	-62.12
Dipole, Da:	2.46
IP(EA), eV:	-9.5(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,5-dioxopyrrol-1-yl)methyl]-N-(3-iodo-3-methylbutyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(CCNS(=O)(=O)C1=CN=CC(=C1)C2=CC(=NC=C2)NC(=O)C)CC=C

DOS

IR

Vibrations