Geometry & MOs

Info

ID:	333764
PubChem CID:	127252316
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	8.74
Dipole, Da:	4.62
IP(EA), eV:	-8.58(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4)CC5=CC6=C(C=C5)NC=C6

DOS

IR

Vibrations