Geometry & MOs

Info

ID:	391924
PubChem CID:	135011053
Reduced:	FSCl2N2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-1.39
Dipole, Da:	5.11
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-4H-pyrimido[1,2-a]quinazoline-2-carboxylate

Drug info:

PubChemData

Smile

CCC1C2=CC=CC=C2SC(=NC3=C(C=C(C=C3Cl)F)Cl)N1C

DOS

IR

Vibrations