Geometry & MOs

Info

ID:	222715
PubChem CID:	85332074
Reduced:	NOS2C29H41 (1)
Stoich.:	ABC2D29E41 (1)
Weight, g/mol:	484.211055
ΔH_f, kcal/mol:	-6.82
Dipole, Da:	0.55
IP(EA), eV:	-7.8(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[[3-tert-butyl-1-(3,5-dimethylphenyl)-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC1=NC(=CC2=C(C=C(S2)C3=CC=CS3)OC)C=C1

DOS

IR

Vibrations