Geometry & MOs

Info

ID:	128669
PubChem CID:	51053753
Reduced:	SO2N5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	351.101919
ΔH_f, kcal/mol:	-18.57
Dipole, Da:	6.77
IP(EA), eV:	-9.11(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-5-oxo-7-pyridin-3-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CSC2=NC=C(C(=O)N12)C(=O)NCCC3=CN=CN3

DOS

IR

Vibrations