Geometry & MOs

Info

ID:	138158
PubChem CID:	52320613
Reduced:	N3O4H18C24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	365.09376
ΔH_f, kcal/mol:	-3.71
Dipole, Da:	4.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.297575
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=NN(C(=O)C=C3)CC(=O)NCC4=CC=C(C=C4)C(=O)[O-]

DOS

IR

Vibrations