Geometry & MOs

Info

ID:

376887

PubChem CID:

134222917

Reduced:

PN4Cl6O10C43H50 (1)

Stoich.:

AB4C6D10E43F50 (1)

Weight, g/mol:

127.934766

ΔHf, kcal/mol:

-434.57

Dipole, Da:

5.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.944054

Charge, e:

 0

Chem-info

IUPAC name:

chloromethyl(phosphoroso)phosphane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](CCCCCC(=O)NC(COC(=O)CCNC(=O)C(Cl)Cl)(COC(=O)CCNC(=O)C(Cl)Cl)COC(=O)CCNC(=O)C(Cl)Cl)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations