Geometry & MOs

Info

ID:	148156
PubChem CID:	53787818
Reduced:	SO2C25H32 (1)
Stoich.:	AB2C25D32 (1)
Weight, g/mol:	190.120509
ΔH_f, kcal/mol:	-91.85
Dipole, Da:	4.75
IP(EA), eV:	-8.45(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dihydroxy-2-methyloctanoic acid

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)SC5=CC=CC=C5

DOS

IR

Vibrations