Geometry & MOs

Info

ID:

81332

PubChem CID:

49854611

Reduced:

SF3O3N4C22H23 (1)

Stoich.:

AB3C3D4E22F23 (1)

Weight, g/mol:

440.16714

ΔHf, kcal/mol:

-222.69

Dipole, Da:

2.94

IP(EA), eV:

 -8.56(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S)-9-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN2C(=O)C=C(N=C2N([C@@H]1C(F)(F)F)C[C@H](C3=CC4=CC=CC=C4S3)O)N5CCOCC5

DOS

IR

Vibrations