Geometry & MOs

Info

ID:

184906

PubChem CID:

77227292

Reduced:

N5O8H31C34 (1)

Stoich.:

A5B8C31D34 (1)

Weight, g/mol:

528.111498

ΔHf, kcal/mol:

-219.51

Dipole, Da:

10.16

IP(EA), eV:

 -9.45(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2,3-dimethoxyphenyl)methyl]-3-[4-(2-fluorophenyl)-5-oxo-1,2,4-triazol-3-ylidene]-6-hydroxy-N-methyl-4-oxocyclohexa-1,5-diene-1-sulfonamide

Drug info:

PubChemData

Smile

C1C(C(=O)N(C2=CC=CC=C2N1C(=O)CO)CC(=O)NC3(CC(=O)OC3)OCC4=CC=CC=C4)NC(=O)C5=NC=CC6=CC=CC=C65

DOS

IR

Vibrations