Geometry & MOs

Info

ID:	330876
PubChem CID:	127248283
Reduced:	SO3N4C22H30 (1)
Stoich.:	AB3C4D22E30 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	-91.17
Dipole, Da:	7.11
IP(EA), eV:	-9.09(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1CCC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4

DOS

IR

Vibrations