Geometry & MOs

Info

ID:	244092
PubChem CID:	99313639
Reduced:	SN3O4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	415.066048
ΔH_f, kcal/mol:	-120.35
Dipole, Da:	6.09
IP(EA), eV:	-8.82(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(2-oxo-1H-pyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=CNC3=O

DOS

IR

Vibrations