Geometry & MOs

Info

ID:	165383
PubChem CID:	74543096
Reduced:	SN2O4H20C25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	402.134635
ΔH_f, kcal/mol:	-39.48
Dipole, Da:	3.11
IP(EA), eV:	-8.64(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C=CC(=O)OCC4=CC=CC=C4C#N

DOS

IR

Vibrations