Geometry & MOs

Info

ID:	349697
PubChem CID:	127275849
Reduced:	SO2N5C14H21 (1)
Stoich.:	AB2C5D14E21 (1)
Weight, g/mol:	337.193632
ΔH_f, kcal/mol:	4.11
Dipole, Da:	6.48
IP(EA), eV:	-8.92(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C=NN=C1SCC2=NOC(=N2)C3CCOCC3

DOS

IR

Vibrations