Geometry & MOs

Info

ID:	242588
PubChem CID:	97857468
Reduced:	OSN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	291.109314
ΔH_f, kcal/mol:	33.23
Dipole, Da:	5.95
IP(EA), eV:	-8.36(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-fluorophenyl)ethyl]-3-[[(S)-methylsulfinyl]methyl]aniline

Drug info:

PubChemData

Smile

CC1=NC=C(S1)[C@@H](C)NC2=CN=C(C=C2)NC(=O)C3CC3

DOS

IR

Vibrations