Geometry & MOs

Info

ID:	148496
PubChem CID:	53788159
Reduced:	OC16H16 (1)
Stoich.:	AB16C16 (1)
Weight, g/mol:	153.010916
ΔH_f, kcal/mol:	6.17
Dipole, Da:	3.15
IP(EA), eV:	-8.85(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-imidazol-2-ylidene-2H-thiatriazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CCC(=C)C=C2)C(=O)C

DOS

IR

Vibrations