Geometry & MOs

Info

ID:	336925
PubChem CID:	127255932
Reduced:	NO16C20H35 (1)
Stoich.:	AB16C20D35 (1)
Weight, g/mol:	259.079763
ΔH_f, kcal/mol:	-711.22
Dipole, Da:	8.35
IP(EA), eV:	-10.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-N-[(1R)-1-(2-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O

DOS

IR

Vibrations