Geometry & MOs

Info

ID:

402325

PubChem CID:

135055526

Reduced:

SO6H20C21 (2)

Stoich.:

AB6C20D21 (2)

Weight, g/mol:

596.161456

ΔHf, kcal/mol:

-360.22

Dipole, Da:

4.7

IP(EA), eV:

 -9.64(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

carbon monoxide;[[(4S,5S)-5-ethenyl-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium

Drug info:

PubChemData

Smile

C=C1CC(CC[C@H]1C(=C)CCCOC(=O)[C@H]([C@@H](C(=O)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)(S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations