Geometry & MOs

Info

ID:	228796
PubChem CID:	87565808
Reduced:	ClFSO3N4C22H26 (1)
Stoich.:	ABCD3E4F22G26 (1)
Weight, g/mol:	310.126382
ΔH_f, kcal/mol:	-104.38
Dipole, Da:	8.86
IP(EA), eV:	-9.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propane-1,2-diol;2-propoxypropane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=CN=NN4CCC(=O)O)/C3)S.Cl

DOS

IR

Vibrations