Geometry & MOs

Info

ID:

427516

PubChem CID:

135159480

Reduced:

NOSH18C23 (2)

Stoich.:

ABCD18E23 (2)

Weight, g/mol:

722.231323

ΔHf, kcal/mol:

143.33

Dipole, Da:

1.71

IP(EA), eV:

 -8.24(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3'-(1,2,6,7-tetrahydrodibenzothiophen-1-yl)-6-(1,2,8,9-tetrahydrodibenzothiophen-1-yl)spiro[1,2-dihydroxanthene-9,9'-xanthene]

Drug info:

PubChemData

Smile

C1CC2=C(C3=C(S2)CCNC3)C(=C1)C4=CC5=C(C=C4)C6(C7C=CC=CC7O5)C8C=CC(=CC8OC9=CC=CC=C69)C1=C2C(=CC=C1)SC1=C2NC=C1

DOS

IR

Vibrations