Geometry & MOs

Info

ID:	397515
PubChem CID:	135030322
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	389.073106
ΔH_f, kcal/mol:	-58.43
Dipole, Da:	2.26
IP(EA), eV:	-9.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(2R,3R)-1,1,1-trifluoro-3-phenylsulfanylbutan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C\C2=CC=C(C=C2)COC

DOS

IR

Vibrations