Geometry & MOs

Info

ID:	167780
PubChem CID:	74874478
Reduced:	FON2S2H7C12 (1)
Stoich.:	ABC2D2E7F12 (1)
Weight, g/mol:	269.065654
ΔH_f, kcal/mol:	12.95
Dipole, Da:	3.56
IP(EA), eV:	-9.12(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(dimethylamino)propyl]-2-sulfanylidene-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C(=O)C3C=CSC3=NC2=S)F

DOS

IR

Vibrations