Geometry & MOs

Info

ID:	33122
PubChem CID:	7885005
Reduced:	N3O6C20H21 (1)
Stoich.:	A3B6C20D21 (1)
Weight, g/mol:	375.098584
ΔH_f, kcal/mol:	-147.68
Dipole, Da:	4.97
IP(EA), eV:	-9.45(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations