Geometry & MOs

Info

ID:	227867
PubChem CID:	87562764
Reduced:	SCl2N2F3O3H21C26 (1)
Stoich.:	AB2C2D3E3F21G26 (1)
Weight, g/mol:	250.068867
ΔH_f, kcal/mol:	-214.89
Dipole, Da:	5.64
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxypropoxy)propane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN2C(=O)C(SC2=NC3=CC(=C(C=C3)Cl)Cl)CC4=CC(=CC=C4)C(F)(F)F)OC

DOS

IR

Vibrations