Geometry & MOs

Info

ID:	235231
PubChem CID:	92304255
Reduced:	F2N3O3C22H23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	415.170748
ΔH_f, kcal/mol:	-179.7
Dipole, Da:	4.01
IP(EA), eV:	-9.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-(2,4-difluorobenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)N([C@@H](CO2)C(=O)NCC3=CN=CC=C3)C(=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations