Geometry & MOs

Info

ID:	174695
PubChem CID:	75806470
Reduced:	ClS2N3O4H12C16 (1)
Stoich.:	AB2C3D4E12F16 (1)
Weight, g/mol:	425.114889
ΔH_f, kcal/mol:	-92.78
Dipole, Da:	6.28
IP(EA), eV:	-9.02(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-(3-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NC(=O)CSC2=C(C3=NC(=O)C=C(C3S2)O)C(=O)N

DOS

IR

Vibrations