Geometry & MOs

Info

ID:	49988
PubChem CID:	11538613
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	401.115307
ΔH_f, kcal/mol:	-108.26
Dipole, Da:	4.29
IP(EA), eV:	-8.78(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S)-8-(4-methylphenyl)sulfonyl-9-(2-methylpropyl)-1,4-dithia-8-azaspiro[4.5]decan-7-ol

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=CC(=C1)C2=CC3=C(CC(C3)NS(=O)(=O)C(C)C)C=C2

DOS

IR

Vibrations