Geometry & MOs

Info

ID:

224044

PubChem CID:

85337463

Reduced:

BrF2N2O3C24H25 (1)

Stoich.:

AB2C2D3E24F25 (1)

Weight, g/mol:

513.154527

ΔHf, kcal/mol:

-156.11

Dipole, Da:

3.98

IP(EA), eV:

 -8.9(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)C=CC(=O)NCCN2CCC(CC2)C(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations