Geometry & MOs

Info

ID:	60062
PubChem CID:	26675633
Reduced:	FSCl2O2N3H14C21 (1)
Stoich.:	ABC2D2E3F14G21 (1)
Weight, g/mol:	381.058341
ΔH_f, kcal/mol:	-55.18
Dipole, Da:	1.52
IP(EA), eV:	-9.1(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-3-[(2-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC3=C2C(=O)N(C=N3)CC(=O)NCC4=C(C=C(C=C4)Cl)Cl)F

DOS

IR

Vibrations