Geometry & MOs

Info

ID:	247806
PubChem CID:	103073309
Reduced:	NSF3C7H12 (1)
Stoich.:	ABC3D7E12 (1)
Weight, g/mol:	239.170771
ΔH_f, kcal/mol:	-154.26
Dipole, Da:	4.86
IP(EA), eV:	-8.72(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-azaspiro[5.5]undecan-3-ylmethyl)prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations