Geometry & MOs

Info

ID:	61847
PubChem CID:	26714032
Reduced:	SN3O5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	459.206602
ΔH_f, kcal/mol:	-161.79
Dipole, Da:	1.82
IP(EA), eV:	-8.73(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

DOS

IR

Vibrations