Geometry & MOs

Info

ID:	32892
PubChem CID:	7849202
Reduced:	BrOSN3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	368.048522
ΔH_f, kcal/mol:	16.38
Dipole, Da:	4.96
IP(EA), eV:	-9.23(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)ethyl 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C#N)SC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCC3=CCCCC3

DOS

IR

Vibrations