Geometry & MOs

Info

ID:	268831
PubChem CID:	103601142
Reduced:	ClOSC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	244.032478
ΔH_f, kcal/mol:	-36.68
Dipole, Da:	3.69
IP(EA), eV:	-8.74(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenyl)methylsulfanyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCCSC

DOS

IR

Vibrations