Geometry & MOs

Info

ID:	401058
PubChem CID:	135049942
Reduced:	N3O8H15C18 (1)
Stoich.:	A3B8C15D18 (1)
Weight, g/mol:	535.02264
ΔH_f, kcal/mol:	-116.08
Dipole, Da:	7.63
IP(EA), eV:	-10.52(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)-2-oxoethyl] 2-[(3,5-dinitrobenzoyl)amino]-5-oxohexanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations