Geometry & MOs

Info

ID:	331096
PubChem CID:	127248503
Reduced:	SN3O4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	425.140927
ΔH_f, kcal/mol:	-139.58
Dipole, Da:	5.8
IP(EA), eV:	-8.99(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1CCN(CC1)C(=O)C2=C(C3=C(S2)N=CC=C3)C4CN(CCO4)C(=O)C

DOS

IR

Vibrations