Geometry & MOs

Info

ID:	330963
PubChem CID:	127248370
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	412.120526
ΔH_f, kcal/mol:	-125.66
Dipole, Da:	2.83
IP(EA), eV:	-9.18(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[4-(pyridine-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4

DOS

IR

Vibrations