Geometry & MOs

Info

ID:	418501
PubChem CID:	135105325
Reduced:	NS2O5C14H21 (1)
Stoich.:	AB2C5D14E21 (1)
Weight, g/mol:	360.091056
ΔH_f, kcal/mol:	-208.65
Dipole, Da:	5.18
IP(EA), eV:	-8.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methylbenzamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)S(=O)(=O)C2=CC(=CS2)C)C(=O)O

DOS

IR

Vibrations