Geometry & MOs

Info

ID:	79339
PubChem CID:	49748143
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	446.106706
ΔH_f, kcal/mol:	-138.27
Dipole, Da:	7.6
IP(EA), eV:	-9.09(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-3-(2-chlorophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCOC23CCN(CC3)C(=O)NC4CC4

DOS

IR

Vibrations