Geometry & MOs

Info

ID:	136049
PubChem CID:	51971323
Reduced:	SN4O4C18H26 (1)
Stoich.:	AB4C4D18E26 (1)
Weight, g/mol:	439.13054
ΔH_f, kcal/mol:	-146.83
Dipole, Da:	5.26
IP(EA), eV:	-8.62(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CNC(=O)C(=O)NC2=CC(=CC=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations