Geometry & MOs

Info

ID:	343697
PubChem CID:	127266873
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	331.039355
ΔH_f, kcal/mol:	-66.16
Dipole, Da:	5.2
IP(EA), eV:	-8.7(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-chloro-1-methyl-6-(methylsulfamoyl)pyrrolo[3,2-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

COCCS(=O)(=O)NCC1=CC=C(C=C1)NC2=CC=NC=C2

DOS

IR

Vibrations