Geometry & MOs

Info

ID:	18452
PubChem CID:	541157
Reduced:	O5C23H34 (1)
Stoich.:	A5B23C34 (1)
Weight, g/mol:	390.240624
ΔH_f, kcal/mol:	-248.84
Dipole, Da:	1.29
IP(EA), eV:	-9.97(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15-acetyloxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C3CCC4(C(C3CC5C2(C1)O5)CCC4OC(=O)C)C)C

DOS

IR

Vibrations