Geometry & MOs

Info

ID:	33187
PubChem CID:	7885304
Reduced:	ClN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-153.63
Dipole, Da:	4.38
IP(EA), eV:	-8.95(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C)C

DOS

IR

Vibrations