Geometry & MOs

Info

ID:	234414
PubChem CID:	92298384
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	416.256274
ΔH_f, kcal/mol:	-111.47
Dipole, Da:	3.86
IP(EA), eV:	-8.52(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-hydroxy-3-[(2R,6S)-6-hydroxy-5-[(E)-4-methyl-6-[(1S,2R)-2-methyl-1-prop-1-en-2-ylcyclopentyl]hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(=O)COC2=CC=C(C=C2)OC

DOS

IR

Vibrations