Geometry & MOs

Info

ID:	392789
PubChem CID:	135017982
Reduced:	O3H12C17 (1)
Stoich.:	A3B12C17 (1)
Weight, g/mol:	390.167853
ΔH_f, kcal/mol:	-42.58
Dipole, Da:	5.8
IP(EA), eV:	-9.12(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6S,8aS)-7,8-dihydroxy-2-propyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-1-(3-hydroxy-1H-inden-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CC2=CC3=C(C4=CC=CC=C4C(=O)C3=C2C(=O)C1)O

DOS

IR

Vibrations