Geometry & MOs

Info

ID:	79346
PubChem CID:	49748165
Reduced:	N2S2O5C21H24 (1)
Stoich.:	A2B2C5D21E24 (1)
Weight, g/mol:	454.103242
ΔH_f, kcal/mol:	-142.06
Dipole, Da:	4.98
IP(EA), eV:	-9.61(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonyl)-8-[(3-fluorophenyl)methylsulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1CN(CCC12N(CCO2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations