Geometry & MOs

Info

ID:	235161
PubChem CID:	92304154
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-133.68
Dipole, Da:	8.54
IP(EA), eV:	-9.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S,7S)-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