Geometry & MOs

Info

ID:	18647
PubChem CID:	545217
Reduced:	NSF2C7H9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	177.042377
ΔH_f, kcal/mol:	-68.41
Dipole, Da:	6.33
IP(EA), eV:	-9.21(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butylsulfanyl-2,3-difluoroprop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)(C)SC(=C(C#N)F)F

DOS

IR

Vibrations