Geometry & MOs

Info

ID:	268818
PubChem CID:	103601083
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	244.032478
ΔH_f, kcal/mol:	-126.06
Dipole, Da:	2.81
IP(EA), eV:	-8.8(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)OC(C)C(=O)OC

DOS

IR

Vibrations