Geometry & MOs

Info

ID:	392277
PubChem CID:	135014092
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	470.230453
ΔH_f, kcal/mol:	-114.13
Dipole, Da:	5.08
IP(EA), eV:	-8.7(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6R)-4-[4-(2,3-diethyl-3-hydroxy-6-oxocyclohexa-1,4-dien-1-yl)-2-oxobutyl]-2-hydroxy-5,7-dioxadispiro[5.1.58.26]pentadeca-9,12-dien-11-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(N1CC2=CC=CC=C2)C3CCCCC3)O

DOS

IR

Vibrations