Geometry & MOs

Info

ID:	46084
PubChem CID:	10521362
Reduced:	O7H16C18 (1)
Stoich.:	A7B16C18 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-210.17
Dipole, Da:	2.58
IP(EA), eV:	-8.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,5R,8S,12R,13S)-5-methyl-1-(2-phenylethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

Drug info:

PubChemData

Smile

C1COC(O1)C2=C(C3=C(C=C2)OCO3)C(C4=CC5=C(C=C4)OCO5)O

DOS

IR

Vibrations