Geometry & MOs

Info

ID:	391979
PubChem CID:	135011542
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	384.187149
ΔH_f, kcal/mol:	-129.29
Dipole, Da:	0.61
IP(EA), eV:	-9.07(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-cyclohexylethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]benzamide

Drug info:

PubChemData

Smile

CCN1CC(C1(C(=O)OC)OC)(C)C

DOS

IR

Vibrations