Geometry & MOs

Info

ID:	62180
PubChem CID:	26717893
Reduced:	S2N3O4C25H29 (1)
Stoich.:	A2B3C4D25E29 (1)
Weight, g/mol:	415.89802
ΔH_f, kcal/mol:	-99.58
Dipole, Da:	9.96
IP(EA), eV:	-8.86(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-(4-cyanophenyl)-2-iodobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)N2CCC[C@@H]2C3=NC4=CC=CC=C4S3)OC

DOS

IR

Vibrations