Geometry & MOs

Info

ID:	331001
PubChem CID:	127248408
Reduced:	SO3N5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	448.178041
ΔH_f, kcal/mol:	-46.35
Dipole, Da:	3.8
IP(EA), eV:	-8.65(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-2-[2-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]morpholin-4-yl]acetamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=N1)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations