Geometry & MOs

Info

ID:

412211

PubChem CID:

135085094

Reduced:

FeSiS2N5F6O6C34H49 (1)

Stoich.:

ABC2D5E6F6G34H49 (1)

Weight, g/mol:

531.375723

ΔHf, kcal/mol:

-543.78

Dipole, Da:

15.21

IP(EA), eV:

 -8.41(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[(2S)-2-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridin-3-yl]-tri(propan-2-yl)silane

Drug info:

PubChemData

Smile

CC(C)[Si](C1=CN=C(C=C1)CN2CCC[C@H]2[C@@H]3CCCN3CC4=NC5=CC=CC=C5N4C)(C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Fe+2]

DOS

IR

Vibrations