Geometry & MOs

Info

ID:	373789
PubChem CID:	131320080
Reduced:	FNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	240.025643
ΔH_f, kcal/mol:	-91.24
Dipole, Da:	3.55
IP(EA), eV:	-8.96(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-fluoro-3-hydroxy-1-benzothiophen-7-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)F)O)[C@@H](C2CCCC2)N

DOS

IR

Vibrations