Geometry & MOs

Info

ID:	35874
PubChem CID:	7980432
Reduced:	ClNSO3H18C21 (1)
Stoich.:	ABCD3E18F21 (1)
Weight, g/mol:	294.100442
ΔH_f, kcal/mol:	-64.98
Dipole, Da:	3.2
IP(EA), eV:	-8.6(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(4-cyanobenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

DOS

IR

Vibrations