Geometry & MOs

Info

ID:	23078
PubChem CID:	601573
Reduced:	SN2O3H10C16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	310.041213
ΔH_f, kcal/mol:	53.78
Dipole, Da:	9.28
IP(EA), eV:	-9.78(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-nitrophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])S2

DOS

IR

Vibrations