Geometry & MOs

Info

ID:	136065
PubChem CID:	51974059
Reduced:	FN3O3H18C20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	434.13521
ΔH_f, kcal/mol:	-84.88
Dipole, Da:	7.78
IP(EA), eV:	-8.57(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(7R)-7-[4-(2-amino-2-oxoethoxy)phenyl]-1-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N2C=NC3=C2NC(=O)C[C@H]3C4=CC(=CC=C4)F)OC

DOS

IR

Vibrations