Geometry & MOs

Info

ID:	30640
PubChem CID:	841610
Reduced:	ClNOSH18C19 (1)
Stoich.:	ABCDE18F19 (1)
Weight, g/mol:	343.079763
ΔH_f, kcal/mol:	-11.24
Dipole, Da:	5.15
IP(EA), eV:	-8.8(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C)NC(=O)C2=C(C3=C(S2)C=C(C=C3)C)Cl

DOS

IR

Vibrations