Geometry & MOs

Info

ID:	418518
PubChem CID:	135105460
Reduced:	ClOSN3C16H20 (1)
Stoich.:	ABCD3E16F20 (1)
Weight, g/mol:	404.107579
ΔH_f, kcal/mol:	-14.89
Dipole, Da:	7.24
IP(EA), eV:	-8.97(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(4-methylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCNC(=O)CSCC2=CC=CC=C2Cl

DOS

IR

Vibrations