Geometry & MOs

Info

ID:	194786
PubChem CID:	78589568
Reduced:	N3O5H19C22 (1)
Stoich.:	A3B5C19D22 (1)
Weight, g/mol:	397.023226
ΔH_f, kcal/mol:	-73.28
Dipole, Da:	7.92
IP(EA), eV:	-8.99(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-amino-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

DOS

IR

Vibrations