Geometry & MOs

Info

ID:	228953
PubChem CID:	87566376
Reduced:	ClFSO2N4C22H26 (1)
Stoich.:	ABCD2E4F22G26 (1)
Weight, g/mol:	166.084124
ΔH_f, kcal/mol:	-64.02
Dipole, Da:	2.07
IP(EA), eV:	-8.95(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane-1,2-diol;2-methoxypropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations