Geometry & MOs

Info

ID:	333677
PubChem CID:	127252229
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	436.193297
ΔH_f, kcal/mol:	-67.85
Dipole, Da:	4.8
IP(EA), eV:	-9.15(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations