Geometry & MOs

Info

ID:	33159
PubChem CID:	7885211
Reduced:	ClN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-154.35
Dipole, Da:	6.87
IP(EA), eV:	-8.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations