Geometry & MOs

Info

ID:	330851
PubChem CID:	127248258
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	434.177647
ΔH_f, kcal/mol:	-62.47
Dipole, Da:	5.83
IP(EA), eV:	-8.58(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[4-(1,3-dihydroisoindol-2-yl)butanoyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)CCC4=CC=C(C=C4)OC

DOS

IR

Vibrations