Geometry & MOs

Info

ID:	383102
PubChem CID:	134974643
Reduced:	NO3C26H37 (1)
Stoich.:	AB3C26D37 (1)
Weight, g/mol:	282.183109
ΔH_f, kcal/mol:	-95.7
Dipole, Da:	2.7
IP(EA), eV:	-9.15(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-[(E,4S,5R,6S)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one

Drug info:

PubChemData

Smile

C[C@@H](CO)[C@@H]([C@@H](C)/C=C(\C)/[C@@H](C1=CC=CC=C1)NC(COC)C2=CC=CC=C2)OC

DOS

IR

Vibrations