Geometry & MOs

Info

ID:	18143
PubChem CID:	538540
Reduced:	O3C29H46 (1)
Stoich.:	A3B29C46 (1)
Weight, g/mol:	442.344695
ΔH_f, kcal/mol:	-184.77
Dipole, Da:	2.89
IP(EA), eV:	-9.68(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7,7,12,16-tetramethyl-15-(5-oxopentan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

Drug info:

PubChemData

Smile

CC(CCC=O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C

DOS

IR

Vibrations