Geometry & MOs

Info

ID:	194784
PubChem CID:	78589566
Reduced:	Cl2N4O5H12C15 (1)
Stoich.:	A2B4C5D12E15 (1)
Weight, g/mol:	393.072763
ΔH_f, kcal/mol:	-98.08
Dipole, Da:	5.49
IP(EA), eV:	-9.44(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-amino-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

DOS

IR

Vibrations