Geometry & MOs

Info

ID:	141603
PubChem CID:	52901079
Reduced:	N2O2C8H9 (2)
Stoich.:	A2B2C8D9 (2)
Weight, g/mol:	441.113627
ΔH_f, kcal/mol:	-95.68
Dipole, Da:	5.55
IP(EA), eV:	-8.85(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C(=O)CN2C(=O)C=CC(=N2)C3=CC=CO3

DOS

IR

Vibrations