Geometry & MOs

Info

ID:	219096
PubChem CID:	85090508
Reduced:	NSSiF3O4C27H34 (1)
Stoich.:	ABCD3E4F27G34 (1)
Weight, g/mol:	553.376724
ΔH_f, kcal/mol:	-299.06
Dipole, Da:	13.59
IP(EA), eV:	-9.28(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-[4-hydroxy-3,5-di(pentan-2-yloxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C1COC(=[N+]1C)C2(C(C=CC3=CC=CC=C32)[Si](C)(C)C4=CC=CC=C4)C.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations