Geometry & MOs

Info

ID:	79348
PubChem CID:	49748176
Reduced:	ClSN3O6H20C21 (1)
Stoich.:	ABC3D6E20F21 (1)
Weight, g/mol:	522.139149
ΔH_f, kcal/mol:	-125.16
Dipole, Da:	6.31
IP(EA), eV:	-9.59(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC12N(CCO2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)C4=NOC(=C4)C5=CC=CO5

DOS

IR

Vibrations