Geometry & MOs

Info

ID:	442312
PubChem CID:	135251264
Reduced:	SO2N9C26H31 (1)
Stoich.:	AB2C9D26E31 (1)
Weight, g/mol:	482.131012
ΔH_f, kcal/mol:	56.65
Dipole, Da:	9.22
IP(EA), eV:	-8.3(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexafluoropropan-2-yl 3-[cyclobutylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

C1CC[C@H]([C@H](C1)N)NC2=NC3=C(C=NN3C=C2)C(=O)NC4=CC5=C(N=C4C6CC6)N=C(S5)N7CCOCC7

DOS

IR

Vibrations