Geometry & MOs

Info

ID:	208923
PubChem CID:	80604619
Reduced:	FOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	301.999526
ΔH_f, kcal/mol:	-176.04
Dipole, Da:	2.45
IP(EA), eV:	-8.98(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(2,5-difluorophenyl)sulfanyl-1,3,4-thiadiazole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC)(C(F)F)O

DOS

IR

Vibrations