Geometry & MOs

Info

ID:	396207
PubChem CID:	135027720
Reduced:	NO3H25C28 (1)
Stoich.:	AB3C25D28 (1)
Weight, g/mol:	423.189317
ΔH_f, kcal/mol:	-1.66
Dipole, Da:	2.58
IP(EA), eV:	-8.35(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,5R,8S)-5-amino-6-(dimethoxymethyl)-8-hydroxy-8-methyl-3-oxo-9-phenylmethoxy-2-oxabicyclo[3.3.1]nonan-4-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3(C2=O)C=C(C4=C3C=C(C=C4)OC)C5=CC=C(C=C5)OC)CC=C

DOS

IR

Vibrations