Geometry & MOs

Info

ID:	330811
PubChem CID:	127248218
Reduced:	S2O3N4C18H24 (1)
Stoich.:	A2B3C4D18E24 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	-75.58
Dipole, Da:	3.3
IP(EA), eV:	-8.99(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations