Geometry & MOs

Info

ID:

227401

PubChem CID:

87561674

Reduced:

F6N7O8C36H39 (1)

Stoich.:

A6B7C8D36E39 (1)

Weight, g/mol:

477.981079

ΔHf, kcal/mol:

-554.28

Dipole, Da:

10.1

IP(EA), eV:

 -9.16(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 -8

Chem-info

IUPAC name:

cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylmethylsulfanyloxysulfanylmethylcyclopentane;iron

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CCCN(C2)C3=NC(=NC4=C3OC=C4)NC5=NC=C(C=C5)C(=O)N6CCOCC6.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations