Geometry & MOs

Info

ID:	235232
PubChem CID:	92304256
Reduced:	F2N3O3C22H23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-178.73
Dipole, Da:	1.93
IP(EA), eV:	-9.88(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R,7S)-7-methyl-4-(3-methylbutanoyl)-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