Geometry & MOs

Info

ID:	292839
PubChem CID:	117360633
Reduced:	NSF2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	243.089327
ΔH_f, kcal/mol:	-64.05
Dipole, Da:	3.21
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(difluoromethylsulfanyl)phenyl]methyl]pyrrolidine

Drug info:

PubChemData

Smile

CC(C1(CC1)C2=C(C=CC(=C2F)SC)F)N

DOS

IR

Vibrations