Geometry & MOs

Info

ID:	310708
PubChem CID:	126584477
Reduced:	SF4O5N6C26H26 (1)
Stoich.:	AB4C5D6E26F26 (1)
Weight, g/mol:	204.099774
ΔH_f, kcal/mol:	-264.35
Dipole, Da:	1.9
IP(EA), eV:	-9.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-5-methoxy-5-oxo-3-propan-2-ylpentanoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=NC=C(C=N1)F)[C@H](C)S(=O)(=O)CC2=NN=C(N2C3=C(C=CC=C3OC)OC)C4=NC(=CC=C4)OCC(F)(F)F

DOS

IR

Vibrations