Geometry & MOs

Info

ID:	142507
PubChem CID:	53046791
Reduced:	ClO2S2N6H17C22 (1)
Stoich.:	AB2C2D6E17F22 (1)
Weight, g/mol:	455.086115
ΔH_f, kcal/mol:	68.68
Dipole, Da:	8.01
IP(EA), eV:	-8.48(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)SC(=C2N)C3=NN=C(N3CC4=CC=CO4)SCC(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations