Geometry & MOs

Info

ID:	331071
PubChem CID:	127248478
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	429.147075
ΔH_f, kcal/mol:	-40.66
Dipole, Da:	2.18
IP(EA), eV:	-8.58(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)NC

DOS

IR

Vibrations