Geometry & MOs

Info

ID:	227883
PubChem CID:	87562845
Reduced:	N4O5C27H28 (1)
Stoich.:	A4B5C27D28 (1)
Weight, g/mol:	473.314123
ΔH_f, kcal/mol:	-26.31
Dipole, Da:	4.69
IP(EA), eV:	-8.94(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(11R,14S)-11-methyl-14-propan-2-yl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]-2-(piperidin-1-ylmethyl)phenol

Drug info:

PubChemData

Smile

COCCOC1=NC(=CC(=N1)C(=O)NO)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)CN4CCOCC4

DOS

IR

Vibrations