Geometry & MOs

Info

ID:

411980

PubChem CID:

135084836

Reduced:

PBr2O4H19C32 (1)

Stoich.:

AB2C4D19E32 (1)

Weight, g/mol:

1174.349892

ΔHf, kcal/mol:

-88.95

Dipole, Da:

5.82

IP(EA), eV:

 -8.99(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

calcium;10,16-bis(4-methoxyphenyl)-13-oxido-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC=C(C=C6)Br)OP(=O)(O3)O)C7=CC=C(C=C7)Br

DOS

IR

Vibrations