Geometry & MOs

Info

ID:	34393
PubChem CID:	7891062
Reduced:	N3O7H17C18 (1)
Stoich.:	A3B7C17D18 (1)
Weight, g/mol:	401.1223
ΔH_f, kcal/mol:	-180.58
Dipole, Da:	9.69
IP(EA), eV:	-9.06(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 4-amino-3-nitrobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations