Geometry & MOs

Info

ID:	330967
PubChem CID:	127248374
Reduced:	S2O4N5C19H21 (1)
Stoich.:	A2B4C5D19E21 (1)
Weight, g/mol:	446.162391
ΔH_f, kcal/mol:	-71.99
Dipole, Da:	5.57
IP(EA), eV:	-9.41(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations