Geometry & MOs

Info

ID:	442459
PubChem CID:	135252244
Reduced:	N3F4O5C23H27 (1)
Stoich.:	A3B4C5D23E27 (1)
Weight, g/mol:	381.131169
ΔH_f, kcal/mol:	-353.02
Dipole, Da:	4.67
IP(EA), eV:	-8.69(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] (3S)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC[C@H](C(F)(F)F)OC(=O)N2CCC3(CC2)C[C@@H](CO3)N4C=C(C=N4)F

DOS

IR

Vibrations