Geometry & MOs

Info

ID:	189125
PubChem CID:	77820264
Reduced:	O7C20H28 (1)
Stoich.:	A7B20C28 (1)
Weight, g/mol:	424.209718
ΔH_f, kcal/mol:	-321.87
Dipole, Da:	9.73
IP(EA), eV:	-10.41(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-tert-butyl-6,11-dioxo-5,8,10-trioxatetracyclo[5.5.1.01,9.04,13]tridecan-13-yl)-3-hydroxy-3-methylbutan-2-yl] propanoate

Drug info:

PubChemData

Smile

CC1COC(C1O)CC23C4CC(C25CC(=O)OC5OC3C(=O)O4)C(C)(C)C

DOS

IR

Vibrations