Geometry & MOs

Info

ID:	60484
PubChem CID:	26697078
Reduced:	SN3O4C17H26 (1)
Stoich.:	AB3C4D17E26 (1)
Weight, g/mol:	418.180053
ΔH_f, kcal/mol:	-117.66
Dipole, Da:	2.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753679
Charge, e:	1

Chem-info

IUPAC name:

4-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC[NH+]3CCOCC3

DOS

IR

Vibrations