Geometry & MOs

Info

ID:	219407
PubChem CID:	85148369
Reduced:	SN4O7C21H28 (1)
Stoich.:	AB4C7D21E28 (1)
Weight, g/mol:	480.146741
ΔH_f, kcal/mol:	-275.12
Dipole, Da:	6.1
IP(EA), eV:	-8.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-tert-butylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SCC3C(=O)N(C(=O)N3)C(C)C(=O)N4CCCC4)C(=O)O)C(C)O

DOS

IR

Vibrations