Geometry & MOs

Info

ID:	31680
PubChem CID:	856012
Reduced:	ClNOSH18C19 (1)
Stoich.:	ABCDE18F19 (1)
Weight, g/mol:	329.064113
ΔH_f, kcal/mol:	-10.7
Dipole, Da:	5.4
IP(EA), eV:	-8.84(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-ethylphenyl)-6-methyl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C2=C(C3=C(S2)C=C(C=C3)C)Cl)C

DOS

IR

Vibrations