Geometry & MOs

Info

ID:

84327

PubChem CID:

49865792

Reduced:

O11H28C41 (1)

Stoich.:

A11B28C41 (1)

Weight, g/mol:

296.099477

ΔHf, kcal/mol:

-258.18

Dipole, Da:

5.19

IP(EA), eV:

 -8.78(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-fluoro-N-propan-2-yl-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide

Drug info:

PubChemData

Smile

CC1(C=CC2=C(O1)C=CC3=C2C(=O)C(=O)C(=C3O)C\4=C(C5=C(C=CC(=C5)OC)C(=O)/C4=C\6/C(=O)C7=C(C8=C(C=C7)OC(C=C8)(C)C)C(=O)C6=O)O)C

DOS

IR

Vibrations