Geometry & MOs

Info

ID:	331101
PubChem CID:	127248508
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	449.177313
ΔH_f, kcal/mol:	-82.9
Dipole, Da:	5.59
IP(EA), eV:	-8.98(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylmorpholin-2-yl)-N-(1-phenylcyclopentyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N4CCCC4

DOS

IR

Vibrations