Geometry & MOs

Info

ID:	194089
PubChem CID:	78480142
Reduced:	FSO3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	381.06017
ΔH_f, kcal/mol:	-131.69
Dipole, Da:	3.27
IP(EA), eV:	-9.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations