Geometry & MOs

Info

ID:	33611
PubChem CID:	7887190
Reduced:	OS2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	329.052193
ΔH_f, kcal/mol:	-33.12
Dipole, Da:	5.58
IP(EA), eV:	-8.93(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluoroanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NCC34CC5CC(C3)CC(C5)C4)C

DOS

IR

Vibrations