Geometry & MOs

Info

ID:	83282
PubChem CID:	49857397
Reduced:	SO2N6H20C23 (1)
Stoich.:	AB2C6D20E23 (1)
Weight, g/mol:	442.094489
ΔH_f, kcal/mol:	88.01
Dipole, Da:	6.54
IP(EA), eV:	-9.04(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2S,4R)-1-[(2S)-2-acetamidopropanoyl]-4-fluoropyrrolidin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-2-methylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1C2=C3C=CN=C3N4C(=N2)C(=CN4)C5=CN=C(C=C5)C6=CN=CC=C6

DOS

IR

Vibrations