Geometry & MOs

Info

ID:	231165
PubChem CID:	87572835
Reduced:	N2O7C22H28 (1)
Stoich.:	A2B7C22D28 (1)
Weight, g/mol:	564.511761
ΔH_f, kcal/mol:	-218.44
Dipole, Da:	3.69
IP(EA), eV:	-8.87(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-17-hydroxy-17-(hydroxymethyl)pentatriacont-26-ene-16,18-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)O[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CC3=CC=C(C=C3)C#C

DOS

IR

Vibrations