Geometry & MOs

Info

ID:	235160
PubChem CID:	92304153
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-137.62
Dipole, Da:	2.95
IP(EA), eV:	-9.77(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S,7R)-4-(2-fluorobenzoyl)-7-methyl-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@]2(C1)N([C@@H](CO2)C(=O)NCC3=CN=CC=C3)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations