Geometry & MOs

Info

ID:	395638
PubChem CID:	135026069
Reduced:	O9C19H20 (1)
Stoich.:	A9B19C20 (1)
Weight, g/mol:	363.144378
ΔH_f, kcal/mol:	-364.86
Dipole, Da:	3.02
IP(EA), eV:	-10.12(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(6S)-4-acetyloxy-6-hydroxycyclohex-2-en-1-ylidene]-[(3R)-3-hydroxy-4-(4-methoxyphenyl)-4-oxobutyl]oxidanium

Drug info:

PubChemData

Smile

CC(=O)OC1C[C@@H](C(=O)C(C1OC(=O)C)OC(=O)C)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations