Geometry & MOs

Info

ID:	30666
PubChem CID:	841646
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	302.028062
ΔH_f, kcal/mol:	-12.98
Dipole, Da:	7.44
IP(EA), eV:	-8.72(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C(=O)N2CCN3CCC[C@@H]3C2)[N+](=O)[O-]

DOS

IR

Vibrations