Geometry & MOs

Info

ID:	33154
PubChem CID:	7885195
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-184.61
Dipole, Da:	4.75
IP(EA), eV:	-8.83(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-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=C2)OC)C

DOS

IR

Vibrations