Geometry & MOs

Info

ID:	230524
PubChem CID:	87571233
Reduced:	F2S2N3O6C27H27 (1)
Stoich.:	A2B2C3D6E27F27 (1)
Weight, g/mol:	562.444469
ΔH_f, kcal/mol:	-236.0
Dipole, Da:	5.02
IP(EA), eV:	-9.04(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3-tris(2,3-dihydroxypropyl)docosanoic acid

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=C(C=C2)C(C(=O)NC3=NC=C(S3)CN4CCC(CC4)C(=O)O)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations