Geometry & MOs

Info

ID:	331087
PubChem CID:	127248494
Reduced:	SO4N5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	-79.83
Dipole, Da:	4.33
IP(EA), eV:	-9.08(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)C(=O)C4=NN(C(=O)C=C4)C

DOS

IR

Vibrations