Geometry & MOs

Info

ID:	178093
PubChem CID:	76276092
Reduced:	SN2O2C11H12 (2)
Stoich.:	AB2C2D11E12 (2)
Weight, g/mol:	498.139548
ΔH_f, kcal/mol:	-92.56
Dipole, Da:	4.3
IP(EA), eV:	-9.24(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CN1CCCC1=NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CSCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations