Geometry & MOs

Info

ID:	194785
PubChem CID:	78589567
Reduced:	ClN3O6H16C17 (1)
Stoich.:	AB3C6D16E17 (1)
Weight, g/mol:	405.132471
ΔH_f, kcal/mol:	-141.04
Dipole, Da:	11.2
IP(EA), eV:	-8.77(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-amino-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

DOS

IR

Vibrations