Geometry & MOs

Info

ID:	79333
PubChem CID:	49748118
Reduced:	SCl2N2O4C21H22 (1)
Stoich.:	AB2C2D4E21F22 (1)
Weight, g/mol:	486.182458
ΔH_f, kcal/mol:	-144.26
Dipole, Da:	10.7
IP(EA), eV:	-9.52(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations