Geometry & MOs

Info

ID:	422720
PubChem CID:	135118298
Reduced:	FSN3O3C18H18 (1)
Stoich.:	ABC3D3E18F18 (1)
Weight, g/mol:	353.16608
ΔH_f, kcal/mol:	-53.22
Dipole, Da:	4.95
IP(EA), eV:	-9.08(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-methoxy-7-(4-methoxy-3-methylphenyl)sulfonyl-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NCC2=CC=CS2)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations