Geometry & MOs

Info

ID:	202107
PubChem CID:	79630024
Reduced:	SO2N4C7H12 (1)
Stoich.:	AB2C4D7E12 (1)
Weight, g/mol:	230.083747
ΔH_f, kcal/mol:	-43.92
Dipole, Da:	3.52
IP(EA), eV:	-8.77(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CSC1=NNC(=N1)N)C(=O)O

DOS

IR

Vibrations