Geometry & MOs

Info

ID:	218936
PubChem CID:	85090203
Reduced:	N4F5O6H21C22 (1)
Stoich.:	A4B5C6D21E22 (1)
Weight, g/mol:	532.230847
ΔH_f, kcal/mol:	-456.45
Dipole, Da:	6.97
IP(EA), eV:	-8.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,12-diacetyloxy-6-(acetyloxymethyl)-5-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

Drug info:

PubChemData

Smile

C1C(OC(=O)N1C2=CC(=C(C=C2)C3=C(C=C(C=C3)N4CC(OC4=O)CN)F)F)CN.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations