Geometry & MOs

Info

ID:	145851
PubChem CID:	53602241
Reduced:	ClSN2O3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	295.067843
ΔH_f, kcal/mol:	-90.62
Dipole, Da:	4.34
IP(EA), eV:	-9.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-3-[(propanoylamino)methyl]-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1CC1N(C2CC(=O)NC2=O)C(=O)CCC3=CC=C(S3)Cl

DOS

IR

Vibrations