Geometry & MOs

Info

ID:	255527
PubChem CID:	103132736
Reduced:	NS2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	266.097666
ΔH_f, kcal/mol:	-115.07
Dipole, Da:	6.32
IP(EA), eV:	-8.7(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)CSC2=NC(=CS2)CC(=O)O

DOS

IR

Vibrations