Geometry & MOs

Info

ID:	388207
PubChem CID:	134988509
Reduced:	OH5C6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	276.014242
ΔH_f, kcal/mol:	-11.92
Dipole, Da:	5.26
IP(EA), eV:	-10.01(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-2-butylsulfanyl-1-chloroethenoxy]-4-chlorobenzene

Drug info:

PubChemData

Smile

C=CC1CC12C3=CC=CC=C3C(=O)O2

DOS

IR

Vibrations