Geometry & MOs

Info

ID:	190513
PubChem CID:	78014290
Reduced:	ClSO4N5C26H34 (1)
Stoich.:	ABC4D5E26F34 (1)
Weight, g/mol:	566.287968
ΔH_f, kcal/mol:	-129.14
Dipole, Da:	3.52
IP(EA), eV:	-8.99(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,11-diacetyloxy-4-ethyl-1-hydroxy-5,13,16,16-tetramethyl-10-oxo-2-tetracyclo[10.3.1.03,9.07,9]hexadec-12-enyl) benzoate

Drug info:

PubChemData

Smile

CC(C)(CO)N1CCC2=C(C1)SC(=N2)C(=O)NC3CC(CC3NC(=O)C4=CC5C=C(C=CC5N4)Cl)CO

DOS

IR

Vibrations