Geometry & MOs

Info

ID:	383346
PubChem CID:	134975019
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	338.137422
ΔH_f, kcal/mol:	-26.97
Dipole, Da:	6.9
IP(EA), eV:	-8.68(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-8-(2,5-dimethoxyphenyl)-8,9,9-trimethyl-1,4-dithiaspiro[4.4]nonane

Drug info:

PubChemData

Smile

CC1=CC[C@]23[C@]1(NC4=CC=CC=C42)N(CC3)S(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations