Geometry & MOs

Info

ID:	33387
PubChem CID:	7886213
Reduced:	OSN2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	393.094726
ΔH_f, kcal/mol:	-9.96
Dipole, Da:	4.14
IP(EA), eV:	-8.81(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)N4CC(=O)NC5=CC=CC=C54

DOS

IR

Vibrations