Geometry & MOs

Info

ID:

47329

PubChem CID:

10531618

Reduced:

NO11C31H37 (1)

Stoich.:

AB11C31D37 (1)

Weight, g/mol:

601.250096

ΔHf, kcal/mol:

-397.34

Dipole, Da:

7.84

IP(EA), eV:

 -8.53(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

azanylidynemanganese;(6Z)-4-tert-butyl-6-[[[(1S,2S)-2-[[(Z)-(3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H](C[C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)N(C)C

DOS

IR

Vibrations