Geometry & MOs

Info

ID:	54668
PubChem CID:	17389070
Reduced:	SO2N5H13C14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	229.088498
ΔH_f, kcal/mol:	16.27
Dipole, Da:	4.27
IP(EA), eV:	-8.91(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2/C(=N\NC(=O)CC3=CSC(=N3)N)/C1=O

DOS

IR

Vibrations