Geometry & MOs

Info

ID:	330806
PubChem CID:	127248213
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-49.06
Dipole, Da:	5.05
IP(EA), eV:	-9.15(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N(C)C

DOS

IR

Vibrations