Geometry & MOs

Info

ID:	205039
PubChem CID:	80047579
Reduced:	NSF3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	303.145699
ΔH_f, kcal/mol:	-106.23
Dipole, Da:	3.05
IP(EA), eV:	-8.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-fluorophenyl)sulfanyl-2-methylphenyl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC(C)NCC1=CC(=C(C(=C1)F)SC2=CC=CC(=C2)F)F

DOS

IR

Vibrations