Geometry & MOs

Info

ID:	320838
PubChem CID:	126663840
Reduced:	SF3N3O4H20C23 (1)
Stoich.:	AB3C3D4E20F23 (1)
Weight, g/mol:	169.056135
ΔH_f, kcal/mol:	-205.23
Dipole, Da:	10.05
IP(EA), eV:	-8.81(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzylmethanesulfinamide

Drug info:

PubChemData

Smile

CC1(C(=C=O)N(C(=S)N1C2=CC=C(C=C2)OC[C@H](CO)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

DOS

IR

Vibrations