Geometry & MOs

Info

ID:	382219
PubChem CID:	134973221
Reduced:	OC18H30 (1)
Stoich.:	AB18C30 (1)
Weight, g/mol:	370.162768
ΔH_f, kcal/mol:	9.02
Dipole, Da:	2.1
IP(EA), eV:	-8.7(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-yl] acetate

Drug info:

PubChemData

Smile

CCCCC12CCC(C1(CCCC)O)C3CC2C=C3

DOS

IR

Vibrations