Geometry & MOs

Info

ID:	73733
PubChem CID:	48420132
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	364.120526
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	6.31
IP(EA), eV:	-9.35(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 4-piperidin-1-ylsulfonylbenzoate

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCCN4C=NC=N4

DOS

IR

Vibrations