Geometry & MOs

Info

ID:	293961
PubChem CID:	117420308
Reduced:	SO3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	266.097666
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	3.36
IP(EA), eV:	-8.75(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-2-[4-(thian-4-yl)phenyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1SC2CCC2)O

DOS

IR

Vibrations