Geometry & MOs

Info

ID:	373840
PubChem CID:	131320561
Reduced:	FNOC9H10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	253.980443
ΔH_f, kcal/mol:	-80.7
Dipole, Da:	2.73
IP(EA), eV:	-8.67(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(7-chloro-2-hydroxy-1-benzothiophen-3-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1CC2=C(N1)C=C(C=C2O)F

DOS

IR

Vibrations