Geometry & MOs

Info

ID:	151215
PubChem CID:	53790915
Reduced:	PO7C19H29 (1)
Stoich.:	AB7C19D29 (1)
Weight, g/mol:	614.30123
ΔH_f, kcal/mol:	-381.86
Dipole, Da:	4.43
IP(EA), eV:	-9.78(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(3,5-dioxo-4-phenyl-1,2,4-triazol-4-ium-4-yl)-N-hexadecyl-N-methyl-2-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CCOP(=O)(C(CC(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations