Geometry & MOs

Info

ID:	415935
PubChem CID:	135088937
Reduced:	NSCl2O5C16H19 (1)
Stoich.:	ABC2D5E16F19 (1)
Weight, g/mol:	354.161329
ΔH_f, kcal/mol:	-188.93
Dipole, Da:	9.81
IP(EA), eV:	-10.05(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4,6-trimethylbenzamide

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@H]1O)(CC2CC2)C(=O)O)S(=O)(=O)C3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations