Geometry & MOs

Info

ID:

167398

PubChem CID:

74820166

Reduced:

ClFN5O5H29C31 (1)

Stoich.:

ABC5D5E29F31 (1)

Weight, g/mol:

588.158543

ΔHf, kcal/mol:

-79.99

Dipole, Da:

9.88

IP(EA), eV:

 -8.33(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3'-(2,4-difluorophenyl)-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-2-oxospiro[1,3,2lambda5-dioxaphosphinane-5,6'-5H-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine]-3'-yl]methanol

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3C4=NOC(N4CC(O3)C5CCCC6=C5N=CO6)(CO)C7=C(C=C(C=C7)F)Cl)OC

DOS

IR

Vibrations