Geometry & MOs

Info

ID:	193984
PubChem CID:	78464158
Reduced:	FSN2O2H19C24 (1)
Stoich.:	ABC2D2E19F24 (1)
Weight, g/mol:	409.124232
ΔH_f, kcal/mol:	-22.39
Dipole, Da:	3.21
IP(EA), eV:	-8.98(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

DOS

IR

Vibrations