Geometry & MOs

Info

ID:	79337
PubChem CID:	49748138
Reduced:	N2S2O5C22H26 (1)
Stoich.:	A2B2C5D22E26 (1)
Weight, g/mol:	519.9796
ΔH_f, kcal/mol:	-153.49
Dipole, Da:	4.27
IP(EA), eV:	-9.57(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(5-bromothiophen-2-yl)sulfonyl-4-(4-methylphenyl)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)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations