Geometry & MOs

Info

ID:	198507
PubChem CID:	79111828
Reduced:	NSO3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	357.02258
ΔH_f, kcal/mol:	-156.43
Dipole, Da:	5.84
IP(EA), eV:	-8.6(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-N-methyl-N-(4-oxocyclohexyl)benzamide

Drug info:

PubChemData

Smile

C1CC2(CCC1NC(=O)C3CCSC3)OCCO2

DOS

IR

Vibrations