Geometry & MOs

Info

ID:	202106
PubChem CID:	79630023
Reduced:	SO2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	216.068097
ΔH_f, kcal/mol:	-122.91
Dipole, Da:	0.52
IP(EA), eV:	-8.62(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CCCCSCC(C)(C)C(=O)OC

DOS

IR

Vibrations