Geometry & MOs

Info

ID:	207628
PubChem CID:	80428964
Reduced:	OS2N4C11H20 (1)
Stoich.:	AB2C4D11E20 (1)
Weight, g/mol:	310.024598
ΔH_f, kcal/mol:	-17.2
Dipole, Da:	6.13
IP(EA), eV:	-9.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCNC(C)(CC(C)SC1=NC=NS1)C(=O)N

DOS

IR

Vibrations