Geometry & MOs

Info

ID:	53565
PubChem CID:	14716668
Reduced:	ClO5C35H43 (1)
Stoich.:	AB5C35D43 (1)
Weight, g/mol:	526.027433
ΔH_f, kcal/mol:	-209.69
Dipole, Da:	4.33
IP(EA), eV:	-8.95(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]oxyphenyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OC(=O)[C@H]([C@@H](C)CC)Cl

DOS

IR

Vibrations