Geometry & MOs

Info

ID:	125816
PubChem CID:	50940255
Reduced:	ClO5N6H23C26 (1)
Stoich.:	AB5C6D23E26 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-42.98
Dipole, Da:	11.24
IP(EA), eV:	-9.44(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dimethylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)naphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CCCC1=NC(=C(N1CC2=CC=CC=C2C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)Cl

DOS

IR

Vibrations