Geometry & MOs

Info

ID:

81433

PubChem CID:

49854720

Reduced:

ClF3N4O4C21H24 (1)

Stoich.:

AB3C4D4E21F24 (1)

Weight, g/mol:

488.143818

ΔHf, kcal/mol:

-291.8

Dipole, Da:

5.02

IP(EA), eV:

 -8.93(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S)-9-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Cl)[C@@H](CN2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F)O

DOS

IR

Vibrations