Geometry & MOs

Info

ID:	229396
PubChem CID:	87567545
Reduced:	S2F3O5C35H47 (1)
Stoich.:	A2B3C5D35E47 (1)
Weight, g/mol:	300.23006
ΔH_f, kcal/mol:	-323.8
Dipole, Da:	21.81
IP(EA), eV:	-8.28(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(2-ethylbutyl)pentanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C2=C(C(=CC=C2)[SH2+])C3=CC=C(C=C3)OCCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations