Geometry & MOs

Info

ID:	427602
PubChem CID:	135160430
Reduced:	NSC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	512.075503
ΔH_f, kcal/mol:	8.14
Dipole, Da:	2.52
IP(EA), eV:	-8.48(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfinamoyl)phenoxy]-5-methylphenyl]propylamino]propanoic acid

Drug info:

PubChemData

Smile

CCC(/C(=C(\C)/S)/C=C)NC

DOS

IR

Vibrations