Geometry & MOs

Info

ID:	330788
PubChem CID:	127248195
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	435.125277
ΔH_f, kcal/mol:	-52.26
Dipole, Da:	4.18
IP(EA), eV:	-8.94(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations