Geometry & MOs

Info

ID:	54170
PubChem CID:	14742178
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	240.082016
ΔH_f, kcal/mol:	-159.83
Dipole, Da:	3.89
IP(EA), eV:	-9.16(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-hydroxy-3,4-dimethyl-2-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N\OC(=O)OC(C)(C)C)/C[C]1C[CH][CH][CH]1

DOS

IR

Vibrations