Geometry & MOs

Info

ID:

386929

PubChem CID:

134983393

Reduced:

CoB2S2C41H55 (1)

Stoich.:

AB2C2D41E55 (1)

Weight, g/mol:

544.404777

ΔHf, kcal/mol:

-62.98

Dipole, Da:

25.75

IP(EA), eV:

 -10.91(-5.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aR,8aS)-5,7-diphenyl-6,8-bis(3,3,4,4-tetramethylborolan-1-yl)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

B1(CC(C(C1)(C)C)(C)C)C2=C(C(=C(CC2)CSC3=CC=CC=C3)B4CC(C(C4)(C)C)(C)C)CSC5=CC=CC=C5.C1=C[CH]C=C1.[Co]

DOS

IR

Vibrations