Geometry & MOs

Info

ID:	182213
PubChem CID:	76861617
Reduced:	FSN2O2H11C17 (1)
Stoich.:	ABC2D2E11F17 (1)
Weight, g/mol:	314.108899
ΔH_f, kcal/mol:	-2.53
Dipole, Da:	4.59
IP(EA), eV:	-9.25(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(ethoxymethyl)phenyl]-5,6-dimethyl-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NC(=O)C3C(=CSC3=N2)C4=CC=C(C=C4)F

DOS

IR

Vibrations