Geometry & MOs

Info

ID:	158278
PubChem CID:	56463282
Reduced:	FS2N3O3C18H20 (1)
Stoich.:	AB2C3D3E18F20 (1)
Weight, g/mol:	452.084257
ΔH_f, kcal/mol:	-98.78
Dipole, Da:	5.33
IP(EA), eV:	-9.03(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-ethylsulfonylethyl)benzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC2=C(S1)N(N=C2C)CC3=CC=C(C=C3)F

DOS

IR

Vibrations