Geometry & MOs

Info

ID:	330882
PubChem CID:	127248289
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	429.127776
ΔH_f, kcal/mol:	-38.36
Dipole, Da:	6.99
IP(EA), eV:	-8.8(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations