Geometry & MOs

Info

ID:	182515
PubChem CID:	76898660
Reduced:	OSH5N5C7 (1)
Stoich.:	ABC5D5E7 (1)
Weight, g/mol:	254.051384
ΔH_f, kcal/mol:	106.72
Dipole, Da:	6.05
IP(EA), eV:	-9.61(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-pyridin-4-yl-3H-1,3-thiazol-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CSC2C1=NC(=NC2=O)CN=[N+]=[N-]

DOS

IR

Vibrations