Geometry & MOs

Info

ID:	16807
PubChem CID:	477071
Reduced:	O5C22H30 (1)
Stoich.:	A5B22C30 (1)
Weight, g/mol:	374.209324
ΔH_f, kcal/mol:	-228.05
Dipole, Da:	10.69
IP(EA), eV:	-8.68(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7-trien-4-one

Drug info:

PubChemData

Smile

CCCC1=CC(=O)OC2=C3[C@H]([C@H]([C@@H](OC3C4CCC(OC4=C12)(C)C)C)C)O

DOS

IR

Vibrations