Geometry & MOs

Info

ID:	60487
PubChem CID:	26697084
Reduced:	SN3O4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	398.174967
ΔH_f, kcal/mol:	-92.76
Dipole, Da:	5.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752437
Charge, e:	1

Chem-info

IUPAC name:

2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-5-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC[NH+]3CCOCC3

DOS

IR

Vibrations