Geometry & MOs

Info

ID:	60760
PubChem CID:	26701964
Reduced:	N2O7H20C23 (1)
Stoich.:	A2B7C20D23 (1)
Weight, g/mol:	485.062592
ΔH_f, kcal/mol:	-133.93
Dipole, Da:	6.09
IP(EA), eV:	-8.57(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chloro-5-nitrobenzoyl)amino]phenyl] 4-ethoxy-3-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OC)[N+](=O)[O-]

DOS

IR

Vibrations