Geometry & MOs

Info

ID:	122840
PubChem CID:	50823705
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	463.09687
ΔH_f, kcal/mol:	-167.6
Dipole, Da:	6.09
IP(EA), eV:	-8.78(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]piperidin-4-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations