Geometry & MOs

Info

ID:	338651
PubChem CID:	127259662
Reduced:	OSN3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	309.093583
ΔH_f, kcal/mol:	49.57
Dipole, Da:	8.49
IP(EA), eV:	-8.22(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(cyanomethyl)phenyl]-methylcarbamothioyl]benzamide

Drug info:

PubChemData

Smile

CC(C#N)C1=CC=CC=C1N(C)C(=S)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations