Geometry & MOs

Info

ID:	179756
PubChem CID:	76526705
Reduced:	N4O4H18C19 (1)
Stoich.:	A4B4C18D19 (1)
Weight, g/mol:	510.261754
ΔH_f, kcal/mol:	-55.32
Dipole, Da:	8.19
IP(EA), eV:	-9.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] 2-propan-2-yloxybenzoate

Drug info:

PubChemData

Smile

CCC1C(=O)N(C(=O)N1)C2=CN=C(C=C2)OC3=CC=CC4=C3C(=NO4)CC

DOS

IR

Vibrations