Geometry & MOs

Info

ID:	330807
PubChem CID:	127248214
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-104.54
Dipole, Da:	3.49
IP(EA), eV:	-9.05(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC(C1)C2=C(SC3=C2C=CC=N3)C(=O)NCCOC

DOS

IR

Vibrations