Geometry & MOs

Info

ID:	54485
PubChem CID:	17388760
Reduced:	O8C27H34 (1)
Stoich.:	A8B27C34 (1)
Weight, g/mol:	416.219889
ΔH_f, kcal/mol:	-344.86
Dipole, Da:	3.75
IP(EA), eV:	-9.87(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,8S)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)[C@]1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)C(=O)OC)C)OC(=O)C

DOS

IR

Vibrations