Geometry & MOs

Info

ID:	84308
PubChem CID:	49865674
Reduced:	N2O6H18C27 (1)
Stoich.:	A2B6C18D27 (1)
Weight, g/mol:	466.116486
ΔH_f, kcal/mol:	-9.54
Dipole, Da:	3.38
IP(EA), eV:	-9.45(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzoyl-N-(4-nitrobenzoyl)anilino) benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C(=O)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations