Geometry & MOs

Info

ID:	64051
PubChem CID:	26759772
Reduced:	NSO7H15C17 (1)
Stoich.:	ABC7D15E17 (1)
Weight, g/mol:	452.107579
ΔH_f, kcal/mol:	-228.46
Dipole, Da:	4.76
IP(EA), eV:	-9.02(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations