Geometry & MOs

Info

ID:	227365
PubChem CID:	87561520
Reduced:	O4N5C12H27 (1)
Stoich.:	A4B5C12D27 (1)
Weight, g/mol:	261.955907
ΔH_f, kcal/mol:	-185.34
Dipole, Da:	0.79
IP(EA), eV:	-9.44(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,5,6-tetrafluoro-4-hydroxyphenyl) hydrogen sulfate

Drug info:

PubChemData

Smile

CCC(C(=O)O)N.CN(C)[C@@H](CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations