Geometry & MOs

Info

ID:	231457
PubChem CID:	87573778
Reduced:	SF3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-130.08
Dipole, Da:	4.24
IP(EA), eV:	-9.51(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetylsulfanyl-1-[(6-aminopyridin-3-yl)methyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(F)(F)F

DOS

IR

Vibrations