Geometry & MOs

Info

ID:	37209
PubChem CID:	8018268
Reduced:	ClSN3O3H14C20 (1)
Stoich.:	ABC3D3E14F20 (1)
Weight, g/mol:	370.131742
ΔH_f, kcal/mol:	-16.04
Dipole, Da:	0.92
IP(EA), eV:	-9.34(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-benzylanilino)-2-oxoethyl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC(=CC=C1)Cl)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations