Geometry & MOs

Info

ID:	48002
PubChem CID:	10536347
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	208.092186
ΔH_f, kcal/mol:	-128.61
Dipole, Da:	5.22
IP(EA), eV:	-8.72(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(2-propan-2-ylphenyl) propanethioate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)OC)CCC(=O)O

DOS

IR

Vibrations