Geometry & MOs

Info

ID:	382877
PubChem CID:	134974281
Reduced:	NO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-126.5
Dipole, Da:	4.69
IP(EA), eV:	-9.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,4S,6S)-3-[(1S,2R)-1,2-dihydroxy-5-phenylpentyl]-7-oxatricyclo[4.3.0.02,4]nonan-8-one

Drug info:

PubChemData

Smile

CC(=O)[C@@H]([C@H](C1=CC=CC=C1)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations