Geometry & MOs

Info

ID:	269237
PubChem CID:	103616512
Reduced:	SN2O2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	270.082684
ΔH_f, kcal/mol:	-8.72
Dipole, Da:	7.22
IP(EA), eV:	-9.37(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[(5-ethylthiophen-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=O)COC2=CC=CC=C2C#N

DOS

IR

Vibrations