Geometry & MOs

Info

ID:	343253
PubChem CID:	127266426
Reduced:	PSO2N4C28H35 (1)
Stoich.:	ABC2D4E28F35 (1)
Weight, g/mol:	320.063092
ΔH_f, kcal/mol:	-45.67
Dipole, Da:	7.87
IP(EA), eV:	-8.21(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-fluoropyridine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C(=NN1C2=CC=CC=C2)C)P(=S)(/C=C\3/C(C4=CC=CC=C4N3C)(C)C)N5CCOCC5

DOS

IR

Vibrations