Geometry & MOs

Info

ID:	159743
PubChem CID:	57288692
Reduced:	BrCl2F3O4H12C17 (1)
Stoich.:	AB2C3D4E12F17 (1)
Weight, g/mol:	418.096535
ΔH_f, kcal/mol:	-290.75
Dipole, Da:	3.52
IP(EA), eV:	-9.62(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbamoyl 4-[4-chloro-3-(hexylsulfamoyl)phenyl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCC(C(=O)O)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)C(F)(F)F)Cl)Br

DOS

IR

Vibrations