Geometry & MOs

Info

ID:	60759
PubChem CID:	26701961
Reduced:	N3O8H17C22 (1)
Stoich.:	A3B8C17D22 (1)
Weight, g/mol:	436.127051
ΔH_f, kcal/mol:	-95.89
Dipole, Da:	4.71
IP(EA), eV:	-9.01(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methoxybenzoyl)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=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations