Geometry & MOs

Info

ID:	174698
PubChem CID:	75806473
Reduced:	SN2O6C20H23 (1)
Stoich.:	AB2C6D20E23 (1)
Weight, g/mol:	439.13054
ΔH_f, kcal/mol:	-182.51
Dipole, Da:	12.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.114586
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C(N=C2C=C1)C)SCC(C(=O)OC)NC(=O)CCC(=O)[O-]

DOS

IR

Vibrations