Geometry & MOs

Info

ID:	169929
PubChem CID:	75168683
Reduced:	NSnO4H25C29 (1)
Stoich.:	ABC4D25E29 (1)
Weight, g/mol:	444.179755
ΔH_f, kcal/mol:	5.21
Dipole, Da:	7.44
IP(EA), eV:	-7.7(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-2-(4-nitrophenyl)-1-(3-oxobutyl)-3-pyridin-2-ylimidazolidin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C=NC(CC2=CC=CC=C2)C(=O)[O-])[O-].C1=CC=C(C=C1)[Sn+2]C2=CC=CC=C2

DOS

IR

Vibrations