Geometry & MOs

Info

ID:	155485
PubChem CID:	56365821
Reduced:	ClFSN2O6H16C17 (1)
Stoich.:	ABCD2E6F16G17 (1)
Weight, g/mol:	485.082362
ΔH_f, kcal/mol:	-263.48
Dipole, Da:	9.14
IP(EA), eV:	-9.35(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]sulfamoyl]-2-fluorophenoxy]butanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NS(=O)(=O)C2=CC(=C(C=C2)OCCCC(=O)O)F)Cl)C(=O)N

DOS

IR

Vibrations