Geometry & MOs

Info

ID:	219185
PubChem CID:	85091320
Reduced:	NO6H41C44 (1)
Stoich.:	AB6C41D44 (1)
Weight, g/mol:	679.517574
ΔH_f, kcal/mol:	-113.34
Dipole, Da:	2.05
IP(EA), eV:	-8.1(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-3-[4-hydroxy-3,5-di(nonoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)OC12CCC(C3C14CCN(C2CC5=C4C(=C(C=C5)OC(=O)C6=CC=CC=C6)O3)CC7CC7)OCC8=C9C=CC=CC9=CC1=CC=CC=C18

DOS

IR

Vibrations