Geometry & MOs

Info

ID:

410243

PubChem CID:

135083034

Reduced:

O11C28H36 (1)

Stoich.:

A11B28C36 (1)

Weight, g/mol:

1111.573999

ΔHf, kcal/mol:

-422.28

Dipole, Da:

5.22

IP(EA), eV:

 -8.32(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;1-[2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol;oxolane

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2COC(=O)[C@@H]2CC3=CC(=C(C(=C3)OC)OC)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC

DOS

IR

Vibrations