Geometry & MOs

Info

ID:	79334
PubChem CID:	49748121
Reduced:	SN2O6C25H30 (1)
Stoich.:	AB2C6D25E30 (1)
Weight, g/mol:	434.1334
ΔH_f, kcal/mol:	-185.91
Dipole, Da:	10.42
IP(EA), eV:	-8.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylpropan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations