Geometry & MOs

Info

ID:	144028
PubChem CID:	53302394
Reduced:	ClNSF2O3H12C20 (1)
Stoich.:	ABCD2E3F12G20 (1)
Weight, g/mol:	399.074071
ΔH_f, kcal/mol:	-132.83
Dipole, Da:	3.87
IP(EA), eV:	-9.21(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3-(3-fluoro-2-hydroxy-4-methylphenyl)-2-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C2=C(SC3=C2C(=O)C(C(=O)N3)(C4=CC=CC=C4)F)Cl)O)F

DOS

IR

Vibrations