Geometry & MOs

Info

ID:	307894
PubChem CID:	125310639
Reduced:	FC14H27 (1)
Stoich.:	AB14C27 (1)
Weight, g/mol:	249.963748
ΔH_f, kcal/mol:	-101.75
Dipole, Da:	1.73
IP(EA), eV:	-9.77(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(4H-pyrazol-3-yl)-2,3-dihydrothiophene-2-sulfonyl chloride

Drug info:

PubChemData

Smile

CCCCC/C=C/[C@@](CC)(CCCC)F

DOS

IR

Vibrations