Geometry & MOs

Info

ID:

215627

PubChem CID:

85085001

Reduced:

ClSO10C67H67 (1)

Stoich.:

ABC10D67E67 (1)

Weight, g/mol:

1098.768615

ΔHf, kcal/mol:

-208.17

Dipole, Da:

4.16

IP(EA), eV:

 -8.51(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,2-N-bis[(3,4-dimethoxyphenyl)methyl]-2-N-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl)cyclohexane-1,2-diamine;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C(C(C(O2)OC3C(OC(C(C3OCC4=CC=CC=C4)OCC5=CC=CC=C5)SC6=CC=C(C=C6)Cl)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1

DOS

IR

Vibrations