Geometry & MOs

Info

ID:

411978

PubChem CID:

135084834

Reduced:

CaO2H20C32 (1)

Stoich.:

AB2C20D32 (1)

Weight, g/mol:

1353.82038

ΔHf, kcal/mol:

-18.31

Dipole, Da:

1.53

IP(EA), eV:

 -8.52(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

calcium;10,16-bis(4-bromophenyl)-13-oxido-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=C(C=C3)[O-])C4=C(C=CC5=C4C=CC(=C5)C6=CC=CC=C6)[O-].[Ca+2]

DOS

IR

Vibrations