Geometry & MOs

Info

ID:	293436
PubChem CID:	117388789
Reduced:	FSN2O2C11H11 (1)
Stoich.:	ABC2D2E11F11 (1)
Weight, g/mol:	254.115424
ΔH_f, kcal/mol:	-42.55
Dipole, Da:	4.62
IP(EA), eV:	-8.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2=NOC(=C2)N)F)SC

DOS

IR

Vibrations