Geometry & MOs

Info

ID:

439629

PubChem CID:

135229415

Reduced:

NO2H27C45 (1)

Stoich.:

AB2C27D45 (1)

Weight, g/mol:

781.243936

ΔHf, kcal/mol:

131.25

Dipole, Da:

2.79

IP(EA), eV:

 -7.9(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,7-diphenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenothiazine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2OC4=C(C35C6=C(C=C(C=C6)N7C8=CC=CC=C8OC9=CC=CC=C97)C1=CC=CC=C51)C=CC1=CC=CC=C14

DOS

IR

Vibrations