Geometry & MOs

Info

ID:

441777

PubChem CID:

135244355

Reduced:

SF6O9C24H28 (1)

Stoich.:

AB6C9D24E28 (1)

Weight, g/mol:

574.334799

ΔHf, kcal/mol:

-640.42

Dipole, Da:

20.06

IP(EA), eV:

 -7.98(-2.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-N-(3,7-dimethylcyclohepta-1,3-dien-1-yl)-9-N-[(2Z,4Z)-hexa-2,4-dienyl]-9-N-(3-methylphenyl)-10-N-phenylanthracene-9,10-diamine

Drug info:

PubChemData

Smile

CCC1CC2CCC(C2)(C1)C(=O)OC3[C@H]4C5CC3C(C5C(=O)O4)C(=O)OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations