Geometry & MOs

Info

ID:	396255
PubChem CID:	135027876
Reduced:	O6H14C19 (1)
Stoich.:	A6B14C19 (1)
Weight, g/mol:	149.02277
ΔH_f, kcal/mol:	-148.21
Dipole, Da:	4.91
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(113C)methylsulfanyl-2-oxobutanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)C2=COC(=C2)C(=O)C3=CC=CC=C3O)O

DOS

IR

Vibrations