Geometry & MOs

Info

ID:	264195
PubChem CID:	103440069
Reduced:	ClSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	258.082286
ΔH_f, kcal/mol:	-90.37
Dipole, Da:	1.85
IP(EA), eV:	-9.21(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-4-(4-fluoro-2-methylphenyl)butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C1=CSC=C1)Cl

DOS

IR

Vibrations