Geometry & MOs

Info

ID:

390272

PubChem CID:

134998183

Reduced:

NO4C13H15 (2)

Stoich.:

AB4C13D15 (2)

Weight, g/mol:

531.048175

ΔHf, kcal/mol:

-274.26

Dipole, Da:

3.06

IP(EA), eV:

 -8.8(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,5-dichloro-6-(5-diphenylphosphoryl-5-methyl-7,7a-dihydro-6H-pyrrolo[1,2-b][1,2,4]oxadiazol-2-yl)-3,4-difluorobenzonitrile

Drug info:

PubChemData

Smile

CC(=O)N1C(N(OC1=O)[C@H]2[C@@H]3[C@H]([C@H](O2)[C@H]4COC(O4)(C)C)OC(O3)(C)C)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations