Geometry & MOs

Info

ID:	330857
PubChem CID:	127248264
Reduced:	ClS2N3O3H18C19 (1)
Stoich.:	AB2C3D3E18F19 (1)
Weight, g/mol:	431.097349
ΔH_f, kcal/mol:	-56.72
Dipole, Da:	5.88
IP(EA), eV:	-9.16(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)S(=O)(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations