Geometry & MOs

Info

ID:	401603
PubChem CID:	135051815
Reduced:	SO2H16C20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	296.116092
ΔH_f, kcal/mol:	-19.24
Dipole, Da:	5.89
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyanomethyl)-4,5-dimethoxyphenyl]benzamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC3=CC=CC=C23)C4C1S(=O)(=O)C5=CC=CC=C45

DOS

IR

Vibrations