Geometry & MOs

Info

ID:	253004
PubChem CID:	103115407
Reduced:	OSN2C6H8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	-19.06
Dipole, Da:	8.66
IP(EA), eV:	-8.97(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclobutylmethyl)-5-(2,4-dimethyl-1,3-thiazol-5-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCSCCN1C(=C(N=N1)C(=O)O)C2=C(N=C(S2)C)C

DOS

IR

Vibrations