Geometry & MOs

Info

ID:

412548

PubChem CID:

135085444

Reduced:

MnS2F6N6O6C38H46 (1)

Stoich.:

AB2C6D6E6F38G46 (1)

Weight, g/mol:

562.378396

ΔHf, kcal/mol:

-388.41

Dipole, Da:

13.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.789471

Charge, e:

 0

Chem-info

IUPAC name:

1-N,2-N-bis[(R)-[4-(dimethylamino)pyridin-2-yl]-phenylmethyl]-1-N,2-N-dimethylcyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)C1=CC(=NC=C1)[C@@H](C2=CC=CC=C2)N(C)C3CCCCC3N(C)[C@H](C4=CC=CC=C4)C5=NC=CC(=C5)N(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Mn+2]

DOS

IR

Vibrations