Geometry & MOs

Info

ID:	205038
PubChem CID:	80047578
Reduced:	FSN3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	311.095555
ΔH_f, kcal/mol:	29.2
Dipole, Da:	5.13
IP(EA), eV:	-8.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3,5-difluoro-4-(3-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CCNCC1=C(N=C2N1C=CC=C2)SC3=CC=CC(=C3)F

DOS

IR

Vibrations