Geometry & MOs

Info

ID:	37197
PubChem CID:	8018207
Reduced:	N2O4H18C23 (1)
Stoich.:	A2B4C18D23 (1)
Weight, g/mol:	398.126657
ΔH_f, kcal/mol:	-52.97
Dipole, Da:	5.2
IP(EA), eV:	-8.84(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations