Geometry & MOs

Info

ID:

412545

PubChem CID:

135085441

Reduced:

O2P2C37H51 (1)

Stoich.:

A2B2C37D51 (1)

Weight, g/mol:

1264.375558

ΔHf, kcal/mol:

-74.27

Dipole, Da:

2.13

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.850340

Charge, e:

2

Chem-info

IUPAC name:

[(2S)-1-azanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-2,2-dimethyl-1,3-benzodioxol-4-yl]-2,2-dimethyl-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+)

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)P(C2=C(C=C[CH-]2)[C@@H](C)P(C3CCCCC3)C4CCCCC4)C5=CC(=C(C(=C5)C)OC)C

DOS

IR

Vibrations