Geometry & MOs

Info

ID:	37194
PubChem CID:	8018194
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	-68.9
Dipole, Da:	2.15
IP(EA), eV:	-9.01(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H](C)NC(=O)COC(=O)C2=CC=C(C=C2)C#N)C

DOS

IR

Vibrations