Geometry & MOs

Info

ID:

317132

PubChem CID:

126632588

Reduced:

NOPH20C29 (1)

Stoich.:

ABCD20E29 (1)

Weight, g/mol:

445.105408

ΔHf, kcal/mol:

60.78

Dipole, Da:

4.35

IP(EA), eV:

 -8.39(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-methyl-9-phenyl-9-sulfanylidene-14-aza-9lambda5-phosphahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

Drug info:

PubChemData

Smile

CN1C2=CC3=CC=CC=C3C=C2C4=C1C5=C(C=C4)P(=O)(C6=CC=CC=C65)C7=CC=CC=C7

DOS

IR

Vibrations