Geometry & MOs

Info

ID:	29155
PubChem CID:	832028
Reduced:	ClON2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	316.043712
ΔH_f, kcal/mol:	-2.99
Dipole, Da:	1.55
IP(EA), eV:	-9.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(=O)[C@H]2C[C@H]2C3=CC=C(C=C3)C(C)(C)C)C)Cl

DOS

IR

Vibrations