Geometry & MOs

Info

ID:	203359
PubChem CID:	79820027
Reduced:	NOS2C14H23 (1)
Stoich.:	ABC2D14E23 (1)
Weight, g/mol:	270.057532
ΔH_f, kcal/mol:	-54.77
Dipole, Da:	1.41
IP(EA), eV:	-8.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenyl-1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone

Drug info:

PubChemData

Smile

CCC(C)SCC(=O)CC1=NC(=CS1)C(C)(C)C

DOS

IR

Vibrations