Geometry & MOs

Info

ID:	30538
PubChem CID:	841467
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	327.025141
ΔH_f, kcal/mol:	-52.67
Dipole, Da:	2.75
IP(EA), eV:	-8.69(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-cyclohexyl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)O[C@@H](C)C(=O)N2CCCC3=CC=CC=C32

DOS

IR

Vibrations