Geometry & MOs

Info

ID:	79336
PubChem CID:	49748136
Reduced:	S2N3O5C19H23 (1)
Stoich.:	A2B3C5D19E23 (1)
Weight, g/mol:	462.128314
ΔH_f, kcal/mol:	-151.06
Dipole, Da:	6.93
IP(EA), eV:	-9.53(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)sulfonyl-8-[(E)-2-phenylethenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCOC23CCN(CC3)S(=O)(=O)C4=CN=CC=C4

DOS

IR

Vibrations