Geometry & MOs

Info

ID:	166818
PubChem CID:	74738015
Reduced:	ClOS2N3H17C20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	478.181195
ΔH_f, kcal/mol:	82.71
Dipole, Da:	15.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.025345
Charge, e:	1

Chem-info

IUPAC name:

4-fluoro-N-(2-morpholin-4-ium-4-yl-1-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C1C[NH+](C(C2=C1SC=C2)C3=CC=CS3)CC4=NC(=O)C5=CC(C=CC5=N4)Cl

DOS

IR

Vibrations