Geometry & MOs

Info

ID:	150710
PubChem CID:	53790405
Reduced:	ClF2O2N4H21C22 (1)
Stoich.:	AB2C2D4E21F22 (1)
Weight, g/mol:	273.103479
ΔH_f, kcal/mol:	-89.97
Dipole, Da:	2.5
IP(EA), eV:	-8.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-(2-formyl-5-hydroxypiperidin-1-yl)-2-methyl-3-oxopropyl] ethanethioate

Drug info:

PubChemData

Smile

CC(=NNC1=NC2=C(C=CC=C2Cl)C(=NC1)C3=C(C=CC=C3F)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations