Geometry & MOs

Info

ID:	253005
PubChem CID:	103115416
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	312.071468
ΔH_f, kcal/mol:	-12.82
Dipole, Da:	7.21
IP(EA), eV:	-9.62(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=C(N=NN2CC3CCC3)C(=O)O

DOS

IR

Vibrations