Geometry & MOs

Info

ID:	25134
PubChem CID:	619396
Reduced:	ClNOSH8C12 (1)
Stoich.:	ABCDE8F12 (1)
Weight, g/mol:	320.235145
ΔH_f, kcal/mol:	-2.4
Dipole, Da:	1.27
IP(EA), eV:	-7.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyethoxy)-5,5,9,11,11-pentamethyltricyclo[7.3.1.02,7]tridec-2(7)-en-3-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1O)SC3=C(N2)C=C(C=C3)Cl

DOS

IR

Vibrations