Geometry & MOs

Info

ID:	207629
PubChem CID:	80429199
Reduced:	FN2O2S2H11C13 (1)
Stoich.:	AB2C2D2E11F13 (1)
Weight, g/mol:	281.065654
ΔH_f, kcal/mol:	-50.04
Dipole, Da:	5.8
IP(EA), eV:	-9.28(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-phenyl-1-(1,2,4-thiadiazol-5-ylsulfanyl)butan-2-ol

Drug info:

PubChemData

Smile

CC1=NSC(=N1)SCC2=CC(=C(C=C2)F)/C=C/C(=O)O

DOS

IR

Vibrations