Geometry & MOs

Info

ID:	142508
PubChem CID:	53047295
Reduced:	NS2O5H21C23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	453.070465
ΔH_f, kcal/mol:	-105.41
Dipole, Da:	7.96
IP(EA), eV:	-8.4(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2CC(=O)NC3=C2SC=C3S(=O)(=O)C4=CC=CC=C4)OCC=C

DOS

IR

Vibrations