Geometry & MOs

Info

ID:	30016
PubChem CID:	838899
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	288.121772
ΔH_f, kcal/mol:	7.87
Dipole, Da:	8.69
IP(EA), eV:	-8.45(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)CC2=C(NC(=S)N=C2)N

DOS

IR

Vibrations