Geometry & MOs

Info

ID:	404723
PubChem CID:	135069965
Reduced:	FNSO6C23H28 (1)
Stoich.:	ABCD6E23F28 (1)
Weight, g/mol:	248.214016
ΔH_f, kcal/mol:	-285.93
Dipole, Da:	3.89
IP(EA), eV:	-9.46(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-ethyl-4-methylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC1=CC=C(C=C1)C(F)S(=O)(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations