Geometry & MOs

Info

ID:

181888

PubChem CID:

76810237

Reduced:

IrNSO2C22H26 (1)

Stoich.:

ABCD2E22F26 (1)

Weight, g/mol:

1092.117827

ΔHf, kcal/mol:

94.48

Dipole, Da:

32.13

IP(EA), eV:

 -9.39(-5.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[4-chloro-6-[(4-ethenylsulfonylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]naphthalen-1-one;chromium;4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)CC1=C[C-]=C(C=C1)C2=NC=CC3=C2C=CS3.CC(C=C(C)O)O.[Ir]

DOS

IR

Vibrations