Geometry & MOs

Info

ID:	247789
PubChem CID:	103073259
Reduced:	FNSC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	189.064592
ΔH_f, kcal/mol:	-13.3
Dipole, Da:	1.29
IP(EA), eV:	-8.95(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)F)CC(=C)CS

DOS

IR

Vibrations