Geometry & MOs

Info

ID:

384980

PubChem CID:

134978076

Reduced:

Cl2P3N8O12C29H61 (1)

Stoich.:

A2B3C8D12E29F61 (1)

Weight, g/mol:

479.201416

ΔHf, kcal/mol:

-673.84

Dipole, Da:

8.76

IP(EA), eV:

 -6.75(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S,5R)-4-methyl-5-phenyl-2-prop-2-enyl-3-trityl-1,3,2lambda5-oxazaphospholidine 2-oxide

Drug info:

PubChemData

Smile

CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)([O-])OP(=O)(C(P(=O)(O)[O-])(Cl)Cl)[O-])O

DOS

IR

Vibrations