Geometry & MOs

Info

ID:	410907
PubChem CID:	135083708
Reduced:	FNOSC12H16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	228.055322
ΔH_f, kcal/mol:	-62.99
Dipole, Da:	1.94
IP(EA), eV:	-8.33(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-chlorophenyl)-2-hydroxybutanoate

Drug info:

PubChemData

Smile

C/C(=N\[S@](=O)C(C)(C)C)/C1=CC=C(C=C1)F

DOS

IR

Vibrations