Geometry & MOs

Info

ID:	418893
PubChem CID:	135107086
Reduced:	OSN6C17H22 (1)
Stoich.:	ABC6D17E22 (1)
Weight, g/mol:	327.130443
ΔH_f, kcal/mol:	65.4
Dipole, Da:	4.84
IP(EA), eV:	-9.0(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CCN(C)CC2=CC(=O)N3C(=N2)SC(=N3)C4CC4

DOS

IR

Vibrations