Geometry & MOs

Info

ID:	227047
PubChem CID:	87559882
Reduced:	SN3F4H7C11 (1)
Stoich.:	AB3C4D7E11 (1)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	-76.61
Dipole, Da:	4.2
IP(EA), eV:	-8.68(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4,8-dihydroxy-2,3-dimethylnon-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)CN2C=CC(=N2)N=S)C(F)(F)F

DOS

IR

Vibrations