Geometry & MOs

Info

ID:

323127

PubChem CID:

126672736

Reduced:

O2H21C25 (2)

Stoich.:

A2B21C25 (2)

Weight, g/mol:

615.124429

ΔHf, kcal/mol:

-54.42

Dipole, Da:

1.93

IP(EA), eV:

 -8.36(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diphenyl-sulfanylidene-[6-(13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)naphthalen-2-yl]-lambda5-phosphane

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2C=C1)C3=CC4=C(C=C3)C5=CC6=C(C=C5C4(C)C)C7=C(C6(C)C)C=C(C=C7)C8=C(C=CC9=CC=CC=C98)C(=O)OCC

DOS

IR

Vibrations