Geometry & MOs

Info

ID:	59431
PubChem CID:	24864423
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	451.104732
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	4.43
IP(EA), eV:	-8.62(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-(2-chlorophenyl)-5-oxo-1,2,4-triazolidin-3-ylidene]-6-hydroxy-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)cyclohexa-1,5-diene-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CCC/C=C\CN1C2=CC=CC=C2OC)C(=O)OC

DOS

IR

Vibrations