Geometry & MOs

Info

ID:	231127
PubChem CID:	87572714
Reduced:	N2F3O7C22H29 (1)
Stoich.:	A2B3C7D22E29 (1)
Weight, g/mol:	1153.023521
ΔH_f, kcal/mol:	-440.14
Dipole, Da:	3.89
IP(EA), eV:	-9.27(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5,6-tetrahexadecylcyclohexa-2,6-diene-1,2,4,5-tetracarboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CC2=C(N(N=C2O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C(C)C)C(F)(F)F

DOS

IR

Vibrations