Geometry & MOs

Info

ID:	206029
PubChem CID:	80192151
Reduced:	NOSF2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	270.082684
ΔH_f, kcal/mol:	-92.61
Dipole, Da:	3.75
IP(EA), eV:	-8.99(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[(3-ethylthiophen-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNC(=O)C2=C(C(=CC=C2)F)F

DOS

IR

Vibrations