Geometry & MOs

Info

ID:	81246
PubChem CID:	49854503
Reduced:	O3N4F5H17C19 (1)
Stoich.:	A3B4C5D17E19 (1)
Weight, g/mol:	444.122081
ΔH_f, kcal/mol:	-316.28
Dipole, Da:	4.39
IP(EA), eV:	-9.27(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-9-(2,4-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)C(=O)C3=C(C=CC=C3F)F)N4CCOCC4

DOS

IR

Vibrations