Geometry & MOs

Info

ID:	195243
PubChem CID:	78663320
Reduced:	SF2N2O2H10C11 (1)
Stoich.:	AB2C2D2E10F11 (1)
Weight, g/mol:	407.130363
ΔH_f, kcal/mol:	-109.5
Dipole, Da:	5.81
IP(EA), eV:	-9.47(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)ethyl 2,4-dimethylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C(=CC1=CC=C(O1)CSC(F)F)C#N

DOS

IR

Vibrations