Geometry & MOs

Info

ID:	1813
PubChem CID:	5109
Reduced:	S2O3N5H17C19 (1)
Stoich.:	A2B3C5D17E19 (1)
Weight, g/mol:	427.077282
ΔH_f, kcal/mol:	-9.05
Dipole, Da:	9.43
IP(EA), eV:	-8.89(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide

Drug info:

PubChemData

Smile

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=C(S2)C=CC=N3)CC4=CC5=C(N4)C=NC=C5

DOS

IR

Vibrations