Geometry & MOs

Info

ID:	304895
PubChem CID:	124766285
Reduced:	O7C24H42 (1)
Stoich.:	A7B24C42 (1)
Weight, g/mol:	442.293054
ΔH_f, kcal/mol:	-389.2
Dipole, Da:	2.27
IP(EA), eV:	-10.19(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OC[C@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(O3)(C)C)OC(O2)(C)C

DOS

IR

Vibrations