Geometry & MOs

Info

ID:	417606
PubChem CID:	135102221
Reduced:	FNOC6H6 (3)
Stoich.:	ABCD6E6 (3)
Weight, g/mol:	411.182792
ΔH_f, kcal/mol:	-229.34
Dipole, Da:	2.65
IP(EA), eV:	-9.57(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-5-hydroxy-4-methyl-9-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@@]1(CC2=CC=CC=C2)C(=O)O)O)C3=NC=CC(=N3)C(F)(F)F

DOS

IR

Vibrations