Geometry & MOs

Info

ID:	228950
PubChem CID:	87566347
Reduced:	SN2O5F6C17H18 (1)
Stoich.:	AB2C5D6E17F18 (1)
Weight, g/mol:	368.168247
ΔH_f, kcal/mol:	-481.87
Dipole, Da:	5.43
IP(EA), eV:	-9.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxypropoxy)propan-1-ol;2-propoxypropane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=CC=NC=C2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations