Geometry & MOs

Info

ID:	33155
PubChem CID:	7885196
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-105.66
Dipole, Da:	6.43
IP(EA), eV:	-9.51(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-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=CC=C2C#N)C

DOS

IR

Vibrations