Geometry & MOs

Info

ID:	230525
PubChem CID:	87571238
Reduced:	O8C31H62 (1)
Stoich.:	A8B31C62 (1)
Weight, g/mol:	332.235145
ΔH_f, kcal/mol:	-481.87
Dipole, Da:	7.05
IP(EA), eV:	-10.37(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6S,8S,11S,12S,15S,16S)-6-ethyl-15-hydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(=O)O

DOS

IR

Vibrations