Geometry & MOs

Info

ID:	60761
PubChem CID:	26701965
Reduced:	ClN3O8H16C22 (1)
Stoich.:	AB3C8D16E22 (1)
Weight, g/mol:	420.132136
ΔH_f, kcal/mol:	-103.28
Dipole, Da:	2.33
IP(EA), eV:	-9.07(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-methylbenzoyl)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=C(C=CC(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

DOS

IR

Vibrations