Geometry & MOs

Info

ID:

48772

PubChem CID:

11528315

Reduced:

ClSN2O4C24H28 (3)

Stoich.:

ABC2D4E24F28 (3)

Weight, g/mol:

1791.046302

ΔHf, kcal/mol:

-268.49

Dipole, Da:

22.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.236205

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OC)CC4=CC(=CC(=C4OCC5=[N+](C=CN5)C)CC6=CC(=CC(=C6OC)CC7=C(C(=CC(=C7)C(C)(C)C)CC8=C(C(=CC(=C8)S(=O)(=O)Cl)C2)OC)OCC9=[N+](C=CN9)C)S(=O)(=O)Cl)C(C)(C)C)S(=O)(=O)Cl)OCC1=[N+](C=CN1)C

DOS

IR

Vibrations