Geometry & MOs

Info

ID:

412355

PubChem CID:

135085245

Reduced:

SN2O5C34H38 (1)

Stoich.:

AB2C5D34E38 (1)

Weight, g/mol:

568.044291

ΔHf, kcal/mol:

-126.0

Dipole, Da:

1.48

IP(EA), eV:

 -9.47(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-2-hydroxy-6-[[2-[2-[[(Z)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-6-methylphenyl]-3-methylanilino]methylidene]cyclohexa-2,4-dien-1-one;nickel

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N[C@H](CC3=CC=CC=C3)C4=N[C@@H](CO4)C(C5=CC=CC=C5)(C6=CC=CC=C6)O)C

DOS

IR

Vibrations