Geometry & MOs

Info

ID:	208708
PubChem CID:	80569386
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	239.047696
ΔH_f, kcal/mol:	-83.98
Dipole, Da:	4.2
IP(EA), eV:	-8.83(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CCC(C1C)NC2=NC(=CS2)C(=O)OCC

DOS

IR

Vibrations