Geometry & MOs

Info

ID:	30639
PubChem CID:	841607
Reduced:	ClO3N4C14H15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	343.079763
ΔH_f, kcal/mol:	-19.69
Dipole, Da:	4.64
IP(EA), eV:	-9.37(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

DOS

IR

Vibrations