Geometry & MOs

Info

ID:	301997
PubChem CID:	123108372
Reduced:	NSCl3O3H16C17 (1)
Stoich.:	ABC3D3E16F17 (1)
Weight, g/mol:	278.029892
ΔH_f, kcal/mol:	-99.76
Dipole, Da:	2.53
IP(EA), eV:	-8.46(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dichloro-4-(3-methylbutylsulfinylmethyl)benzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)CS(=O)CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations