Geometry & MOs

Info

ID:	217941
PubChem CID:	85088626
Reduced:	FNS2O4C19H24 (1)
Stoich.:	ABC2D4E19F24 (1)
Weight, g/mol:	413.111936
ΔH_f, kcal/mol:	-206.09
Dipole, Da:	6.66
IP(EA), eV:	-9.47(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1C(N(C(=O)S1)CCSCCCC(=O)O)C=CC(CC2=CC(=CC=C2)F)O

DOS

IR

Vibrations