Geometry & MOs

Info

ID:	47014
PubChem CID:	10528929
Reduced:	PSC23H26 (1)
Stoich.:	ABC23D26 (1)
Weight, g/mol:	486.128782
ΔH_f, kcal/mol:	63.4
Dipole, Da:	2.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.844534
Charge, e:	0

Chem-info

IUPAC name:

N-(4-nitrophenyl)-2-[[(4Z)-4-[(4-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]acetamide

Drug info:

PubChemData

Smile

C[C@H](C[C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)SC(C)C

DOS

IR

Vibrations