Geometry & MOs

Info

ID:	294786
PubChem CID:	117491649
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	-36.37
Dipole, Da:	3.03
IP(EA), eV:	-8.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-oxoacetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC(=NO2)N)OC3CCCSC3

DOS

IR

Vibrations