Geometry & MOs

Info

ID:	38523
PubChem CID:	8136984
Reduced:	ClN3O5H16C19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	-92.09
Dipole, Da:	5.61
IP(EA), eV:	-9.4(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-methoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations