Geometry & MOs

Info

ID:	377189
PubChem CID:	134223228
Reduced:	NO2S2C42H79 (1)
Stoich.:	AB2C2D42E79 (1)
Weight, g/mol:	372.251189
ΔH_f, kcal/mol:	-168.04
Dipole, Da:	1.23
IP(EA), eV:	-8.34(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-ethyl-3,5-dihydroxyhex-5-enoxy)-2-oxoethyl] 2-tert-butyl-3,3-dimethylbutanoate

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\CCCCCCCCOCC(CSSCCNC)OCCCCCCCC/C=C\C/C=C\CCCCC

DOS

IR

Vibrations