Geometry & MOs

Info

ID:	81245
PubChem CID:	49854502
Reduced:	O2N4F5H17C18 (1)
Stoich.:	A2B4C5D17E18 (1)
Weight, g/mol:	444.122081
ΔH_f, kcal/mol:	-281.59
Dipole, Da:	1.61
IP(EA), eV:	-9.09(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-9-(2,6-difluorobenzoyl)-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)C3=CC(=CC(=C3)F)F)N4CCOCC4

DOS

IR

Vibrations