Geometry & MOs

Info

ID:	69922
PubChem CID:	47205758
Reduced:	OSN3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	303.023311
ΔH_f, kcal/mol:	34.04
Dipole, Da:	4.47
IP(EA), eV:	-8.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-1-benzothiophen-2-yl)-N-(1H-pyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C=CC(=O)NC2=CNN=C2

DOS

IR

Vibrations