Geometry & MOs

Info

ID:	59867
PubChem CID:	24900662
Reduced:	SN8H12C17 (1)
Stoich.:	AB8C12D17 (1)
Weight, g/mol:	544.154719
ΔH_f, kcal/mol:	210.97
Dipole, Da:	6.48
IP(EA), eV:	-9.06(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide;hydrochloride

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NN3C(=NN=C3SC4=CC5=CN=CN=C5C=C4)C=C2

DOS

IR

Vibrations