Geometry & MOs

Info

ID:	85661
PubChem CID:	49877894
Reduced:	SN3O7H23C28 (1)
Stoich.:	AB3C7D23E28 (1)
Weight, g/mol:	352.157563
ΔH_f, kcal/mol:	-86.57
Dipole, Da:	7.66
IP(EA), eV:	-8.86(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-benzylidene-3-(3,5-dimethylphenyl)-2-phenylimidazol-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)/C(=C\C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-])/S2)C

DOS

IR

Vibrations