Geometry & MOs

Info

ID:	342726
PubChem CID:	127265886
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	334.101208
ΔH_f, kcal/mol:	-161.23
Dipole, Da:	7.81
IP(EA), eV:	-9.23(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoroethyl)-5-[[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCCN2CCC[C@@H]3[C@H]2CNC3=O

DOS

IR

Vibrations