Geometry & MOs

Info

ID:	330922
PubChem CID:	127248329
Reduced:	SN3O4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	440.16306
ΔH_f, kcal/mol:	-85.04
Dipole, Da:	1.31
IP(EA), eV:	-8.95(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(dimethylamino)pyrimidine-5-carbonyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)COC4=CC=CC=C4OC

DOS

IR

Vibrations