Geometry & MOs

Info

ID:	442318
PubChem CID:	135251313
Reduced:	N2F3O4C18H27 (1)
Stoich.:	A2B3C4D18E27 (1)
Weight, g/mol:	458.169842
ΔH_f, kcal/mol:	-337.73
Dipole, Da:	3.74
IP(EA), eV:	-9.52(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 4-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate

Drug info:

PubChemData

Smile

CN(C1CC2(C1)CCN(CC2)C(=O)O[C@H](CO)C(F)(F)F)C(=O)CC3CC3

DOS

IR

Vibrations