Geometry & MOs

Info

ID:	16806
PubChem CID:	477070
Reduced:	O5C22H26 (1)
Stoich.:	A5B22C26 (1)
Weight, g/mol:	370.178024
ΔH_f, kcal/mol:	-190.09
Dipole, Da:	11.75
IP(EA), eV:	-8.96(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16R,17S)-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,11-tetraene-4,18-dione

Drug info:

PubChemData

Smile

CCCC1=CC(=O)OC2=C3C(C4C=CC(OC4=C12)(C)C)O[C@@H]([C@@H](C3=O)C)C

DOS

IR

Vibrations