Geometry & MOs

Info

ID:	263880
PubChem CID:	103404225
Reduced:	ClSN2O3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	296.142387
ΔH_f, kcal/mol:	-80.4
Dipole, Da:	4.6
IP(EA), eV:	-9.19(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-fluoro-2-[3-(2-methoxyethoxy)propoxymethyl]phenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C2=NN=C(O2)CC(C)CC(=O)O

DOS

IR

Vibrations