Geometry & MOs

Info

ID:	137398
PubChem CID:	52204146
Reduced:	ClNSO3H16C18 (1)
Stoich.:	ABCD3E16F18 (1)
Weight, g/mol:	344.004071
ΔH_f, kcal/mol:	-63.25
Dipole, Da:	5.26
IP(EA), eV:	-9.31(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(3-chlorophenyl)methylsulfonylmethyl]-1-methoxybenzene

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CS(=O)(=O)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations