Geometry & MOs

Info

ID:	84099
PubChem CID:	49864156
Reduced:	NO2C7H14 (2)
Stoich.:	AB2C7D14 (2)
Weight, g/mol:	527.251917
ΔH_f, kcal/mol:	-177.88
Dipole, Da:	1.42
IP(EA), eV:	-8.89(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z,7aR)-5-(2,3-dihydroxypropyl)-3-[(1Z,4E,6E,8E)-1-hydroxy-10-methyl-3-oxododeca-1,4,6,8-tetraenyl]-6-[(3-hydroxypropylamino)methylidene]-7a-methyl-1-benzofuran-2,7-dione

Drug info:

PubChemData

Smile

CNCCCCCCCCC(=O)N(CCC(=O)OC)O

DOS

IR

Vibrations