Geometry & MOs

Info

ID:	401080
PubChem CID:	135050041
Reduced:	N3O8H17C23 (1)
Stoich.:	A3B8C17D23 (1)
Weight, g/mol:	478.99643
ΔH_f, kcal/mol:	-82.95
Dipole, Da:	7.59
IP(EA), eV:	-10.11(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)OCC(=O)C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations