Geometry & MOs

Info

ID:	158274
PubChem CID:	56463275
Reduced:	SN2O5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	418.123229
ΔH_f, kcal/mol:	-132.9
Dipole, Da:	3.17
IP(EA), eV:	-8.48(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations