Geometry & MOs

Info

ID:	141253
PubChem CID:	52847446
Reduced:	ClN2S2O4C17H19 (1)
Stoich.:	AB2C2D4E17F19 (1)
Weight, g/mol:	394.113333
ΔH_f, kcal/mol:	-131.88
Dipole, Da:	4.84
IP(EA), eV:	-9.03(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(C2=C1C=C(C=C2)S(=O)(=O)N)S(=O)(=O)C3=CC=C(C=C3)CCCCl

DOS

IR

Vibrations