Geometry & MOs

Info

ID:	60481
PubChem CID:	26697072
Reduced:	SN4O6C19H28 (1)
Stoich.:	AB4C6D19E28 (1)
Weight, g/mol:	408.139331
ΔH_f, kcal/mol:	-162.79
Dipole, Da:	8.57
IP(EA), eV:	-9.12(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(2-fluorophenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCN3CCOCC3

DOS

IR

Vibrations