Geometry & MOs

Info

ID:	408460
PubChem CID:	135081226
Reduced:	FSC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-30.17
Dipole, Da:	2.99
IP(EA), eV:	-8.73(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-3-hydroxy-3-(4-methoxyphenyl)-2-methylbutanoate

Drug info:

PubChemData

Smile

C1CCC(=C(F)SC2=CC=CC=C2)CC1

DOS

IR

Vibrations