Geometry & MOs

Info

ID:	442458
PubChem CID:	135252179
Reduced:	ClNO3H14C23 (1)
Stoich.:	ABC3D14E23 (1)
Weight, g/mol:	501.188684
ΔH_f, kcal/mol:	-13.01
Dipole, Da:	1.9
IP(EA), eV:	-9.17(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=C(NC4=C3C=C(C=C4)Cl)OO2)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations