Geometry & MOs

Info

ID:	163512
PubChem CID:	58023173
Reduced:	FOSN3H24C25 (1)
Stoich.:	ABCD3E24F25 (1)
Weight, g/mol:	416.155849
ΔH_f, kcal/mol:	-4.03
Dipole, Da:	3.24
IP(EA), eV:	-8.66(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(oxan-4-yl)ethyl]-2-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CCN2C(=NC3=C(C2=O)SC=C3)C4=CC(=C(C=C4)C5=CC=CC=C5)F

DOS

IR

Vibrations