Geometry & MOs

Info

ID:	255528
PubChem CID:	103132738
Reduced:	SO3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	218.097666
ΔH_f, kcal/mol:	-127.69
Dipole, Da:	4.98
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(5-methyloxolan-2-yl)methylsulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)CSC2=CC=C(C=C2)CC(=O)O

DOS

IR

Vibrations