Geometry & MOs

Info

ID:	331083
PubChem CID:	127248490
Reduced:	SO2N6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	7.4
Dipole, Da:	9.0
IP(EA), eV:	-8.86(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-methyl-3-(4-propan-2-ylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)CC4=NC(=NC=C4)N5CCCC5

DOS

IR

Vibrations