Geometry & MOs

Info

ID:	330946
PubChem CID:	127248353
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	429.147075
ΔH_f, kcal/mol:	-87.46
Dipole, Da:	3.32
IP(EA), eV:	-8.76(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4

DOS

IR

Vibrations