Geometry & MOs

Info

ID:	149377
PubChem CID:	53789049
Reduced:	O2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	217.980443
ΔH_f, kcal/mol:	-101.37
Dipole, Da:	3.94
IP(EA), eV:	-8.46(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-methoxy-3-(sulfonylmethyl)benzene

Drug info:

PubChemData

Smile

CC1C(CCC1O)C2CCC3=C(C2)C=CC(=C3)OC

DOS

IR

Vibrations