Geometry & MOs

Info

ID:	305886
PubChem CID:	124972714
Reduced:	FON3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	543.149778
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	4.21
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-1-[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=CC=CC=C2F)CC3=CN=C4C(=C3)C=CN4

DOS

IR

Vibrations