Geometry & MOs

Info

ID:	46007
PubChem CID:	10520371
Reduced:	FN3O5H8C15 (1)
Stoich.:	AB3C5D8E15 (1)
Weight, g/mol:	329.147452
ΔH_f, kcal/mol:	-164.32
Dipole, Da:	5.16
IP(EA), eV:	-9.75(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R)-5-[(1S,2R,6R,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-4,5-dihydro-1,2-oxazol-3-yl]methanol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=O)C=CC2=O)C(=O)N3C=C(C(=O)NC3=O)F

DOS

IR

Vibrations