Geometry & MOs

Info

ID:	416160
PubChem CID:	135089168
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	399.127107
ΔH_f, kcal/mol:	-127.91
Dipole, Da:	5.71
IP(EA), eV:	-8.56(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations