Geometry & MOs

Info

ID:	272069
PubChem CID:	103722922
Reduced:	SO2N5H11C12 (1)
Stoich.:	AB2C5D11E12 (1)
Weight, g/mol:	242.120132
ΔH_f, kcal/mol:	55.51
Dipole, Da:	5.33
IP(EA), eV:	-9.68(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylsulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C2=NOC(=C2)C3=CC=CS3

DOS

IR

Vibrations