Geometry & MOs

Info

ID:	390228
PubChem CID:	134997871
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	321.172879
ΔH_f, kcal/mol:	-119.48
Dipole, Da:	5.25
IP(EA), eV:	-9.82(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-ditert-butyldibenzo-p-dioxin-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C)/CCCCC(=O)C

DOS

IR

Vibrations