Geometry & MOs

Info

ID:	330959
PubChem CID:	127248366
Reduced:	SN4O5C20H22 (1)
Stoich.:	AB4C5D20E22 (1)
Weight, g/mol:	427.131425
ΔH_f, kcal/mol:	-102.59
Dipole, Da:	4.29
IP(EA), eV:	-9.26(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations