Geometry & MOs

Info

ID:	33156
PubChem CID:	7885197
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-107.3
Dipole, Da:	6.0
IP(EA), eV:	-9.47(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[N-(2-cyanoethyl)anilino]-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