Geometry & MOs

Info

ID:	331068
PubChem CID:	127248475
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-22.69
Dipole, Da:	3.48
IP(EA), eV:	-9.2(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=NC3=CC=CC=C23)C4=C(SC5=C4C=CC=N5)C(=O)NCCO

DOS

IR

Vibrations