Geometry & MOs

Info

ID:	60508
PubChem CID:	26697109
Reduced:	SN3O4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	493.167629
ΔH_f, kcal/mol:	-89.36
Dipole, Da:	1.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752385
Charge, e:	1

Chem-info

IUPAC name:

2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C(=O)NCC[NH+]4CCOCC4

DOS

IR

Vibrations