Geometry & MOs

Info

ID:	395244
PubChem CID:	135025010
Reduced:	SO3C18H18 (1)
Stoich.:	AB3C18D18 (1)
Weight, g/mol:	372.193674
ΔH_f, kcal/mol:	-70.97
Dipole, Da:	5.24
IP(EA), eV:	-9.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,7S,9S,10R,14R)-3-(3-methylphenyl)spiro[4,8,11,13,15-pentaoxatetracyclo[7.6.0.02,7.010,14]pentadecane-12,1'-cyclohexane]

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C(\CS(=O)(=O)C2=CC=CC=C2)/C(=O)C

DOS

IR

Vibrations