Geometry & MOs

Info

ID:	141103
PubChem CID:	52818593
Reduced:	SF2O2N4H12C15 (1)
Stoich.:	AB2C2D4E12F15 (1)
Weight, g/mol:	451.117747
ΔH_f, kcal/mol:	-62.61
Dipole, Da:	3.36
IP(EA), eV:	-8.84(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[3-oxo-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CN2C=CC(=N2)NS(=O)(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations