Geometry & MOs

Info

ID:	330789
PubChem CID:	127248196
Reduced:	SN3O4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	-71.22
Dipole, Da:	1.97
IP(EA), eV:	-9.29(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=C(SC3=C2C=CC=N3)C(=O)NCCO)C(=O)C4=CC5=CC=CC=C5O4

DOS

IR

Vibrations