Geometry & MOs

Info

ID:	331074
PubChem CID:	127248481
Reduced:	SO4N5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	443.162725
ΔH_f, kcal/mol:	-64.82
Dipole, Da:	5.85
IP(EA), eV:	-9.21(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations