Geometry & MOs

Info

ID:

149081

PubChem CID:

53788752

Reduced:

ClH7C11 (1)

Stoich.:

AB7C11 (1)

Weight, g/mol:

1217.262286

ΔHf, kcal/mol:

95.43

Dipole, Da:

1.45

IP(EA), eV:

-8.79(-0.9)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[3-[aminooxy-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]methyl]phenyl]formamide;N-[5-[(2-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxopropanamide;2,4-dimethyl-1-propoxybenzene

Drug info:

PubChemData

Smile

C1C2=C1C3=C(C=C2)C(=CC=C3)Cl

DOS

IR

Vibrations