Geometry & MOs

Info

ID:	48201
PubChem CID:	10537876
Reduced:	O7C9H18 (1)
Stoich.:	A7B9C18 (1)
Weight, g/mol:	238.084124
ΔH_f, kcal/mol:	-330.71
Dipole, Da:	1.22
IP(EA), eV:	-10.51(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2S,3R,4S,5R,6R,7S,9R,11S)-7-methyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecan-5-yl]ethanone

Drug info:

PubChemData

Smile

CC(CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

DOS

IR

Vibrations