Geometry & MOs

Info

ID:	60497
PubChem CID:	26697097
Reduced:	SN3O4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	403.156577
ΔH_f, kcal/mol:	-95.37
Dipole, Da:	1.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753752
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations