Geometry & MOs

Info

ID:	253006
PubChem CID:	103115417
Reduced:	OSN2C6H8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-18.79
Dipole, Da:	6.11
IP(EA), eV:	-8.93(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=C(N=NN2CCCSC)C(=O)O

DOS

IR

Vibrations