Geometry & MOs

Info

ID:

179959

PubChem CID:

76558565

Reduced:

ClNOPSiTiC21H31 (1)

Stoich.:

ABCDEFG21H31 (1)

Weight, g/mol:

1107.394471

ΔHf, kcal/mol:

-151.89

Dipole, Da:

8.79

IP(EA), eV:

 -7.29(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[[6-[(butanoylamino)methyl]-2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl]methyl]-N-[4-[2-(4-methylpyridin-2-yl)pyridin-4-yl]butyl]pentanediamide;2-pyridin-2-ylpyridine;ruthenium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)PC2=C(C=CC(=C2)[Si](C)(C)C)O)C[N-]C(C)(C)C.Cl[Ti+]

DOS

IR

Vibrations