Geometry & MOs

Info

ID:	160062
PubChem CID:	57304560
Reduced:	ClOC22H31 (1)
Stoich.:	ABC22D31 (1)
Weight, g/mol:	408.040992
ΔH_f, kcal/mol:	-15.65
Dipole, Da:	4.22
IP(EA), eV:	-9.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylphenoxy)propyl 2-chloro-5-(trifluoromethyl)benzenesulfonate

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)Cl

DOS

IR

Vibrations