Geometry & MOs

Info

ID:	64940
PubChem CID:	29204228
Reduced:	ClSN3O4C15H16 (1)
Stoich.:	ABC3D4E15F16 (1)
Weight, g/mol:	328.043712
ΔH_f, kcal/mol:	-75.96
Dipole, Da:	3.87
IP(EA), eV:	-9.7(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-1-benzothiophen-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(OC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC2=CN=CC=C2)Cl

DOS

IR

Vibrations