Geometry & MOs

Info

ID:	302553
PubChem CID:	124385032
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	454.19223
ΔH_f, kcal/mol:	-135.26
Dipole, Da:	2.91
IP(EA), eV:	-9.7(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R,8S,9R,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C[C@H]2CCCCCC2=O)C(=O)O

DOS

IR

Vibrations