Geometry & MOs

Info

ID:	138611
PubChem CID:	52393386
Reduced:	SN2O3C18H30 (1)
Stoich.:	AB2C3D18E30 (1)
Weight, g/mol:	346.111791
ΔH_f, kcal/mol:	-132.23
Dipole, Da:	5.95
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)NCCCN2C[C@@H](O[C@H](C2)C)C

DOS

IR

Vibrations