Geometry & MOs

Info

ID:	34056
PubChem CID:	7889633
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	383.093977
ΔH_f, kcal/mol:	-111.14
Dipole, Da:	6.56
IP(EA), eV:	-9.01(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-benzamidoacetate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)OC(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations