Geometry & MOs

Info

ID:	45934
PubChem CID:	10519393
Reduced:	NO5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	315.003528
ΔH_f, kcal/mol:	-169.94
Dipole, Da:	3.31
IP(EA), eV:	-9.62(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-4-(4-fluorophenyl)sulfonylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC(=C2C(=O)OC[C@@H](N2C1=O)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations