Geometry & MOs

Info

ID:

392886

PubChem CID:

135018299

Reduced:

NPO3H35C38 (1)

Stoich.:

ABC3D35E38 (1)

Weight, g/mol:

583.227631

ΔHf, kcal/mol:

12.92

Dipole, Da:

13.84

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.801006

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,5S)-2-oxo-5-phenyloxolan-3-yl]-N-[(1S)-1-phenylethyl]-2-(triphenyl-lambda5-phosphanylidene)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N([C@H]2C[C@H](OC2=O)C3=CC=CC=C3)C(=O)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations