Geometry & MOs

Info

ID:	81331
PubChem CID:	49854610
Reduced:	ClO2F3N4C20H22 (1)
Stoich.:	AB2C3D4E20F22 (1)
Weight, g/mol:	480.144296
ΔH_f, kcal/mol:	-207.16
Dipole, Da:	3.43
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-9-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-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)CCC3=CC(=CC=C3)Cl)N4CCOCC4

DOS

IR

Vibrations