Geometry & MOs

Info

ID:	41633
PubChem CID:	8146642
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	369.094726
ΔH_f, kcal/mol:	-18.2
Dipole, Da:	4.73
IP(EA), eV:	-8.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations