Geometry & MOs

Info

ID:	216433
PubChem CID:	85086236
Reduced:	OC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	268.113316
ΔH_f, kcal/mol:	-32.26
Dipole, Da:	1.39
IP(EA), eV:	-8.07(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]butanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=CC2=CC(=C(C=C2)OC)OC)C

DOS

IR

Vibrations