Geometry & MOs

Info

ID:

412010

PubChem CID:

135084873

Reduced:

VN2O5C37H42 (1)

Stoich.:

AB2C5D37E42 (1)

Weight, g/mol:

637.305576

ΔHf, kcal/mol:

-153.1

Dipole, Da:

5.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.269806

Charge, e:

 3

Chem-info

IUPAC name:

(6Z)-4-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-(3-tert-butyl-6-oxo-5-trimethylsilylcyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-2-trimethylsilylcyclohexa-2,4-dien-1-one;cobalt(3+)

Drug info:

PubChemData

Smile

CC(C)O.C1CCC(C(C1)N(C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)O)N(C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)O.[V]

DOS

IR

Vibrations