Geometry & MOs

Info

ID:	85732
PubChem CID:	49878579
Reduced:	FSO2N4H19C23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-27.34
Dipole, Da:	2.46
IP(EA), eV:	-9.15(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(5-methylpyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC=C1F)SC2=NC3=C(C=CC=N3)C(=O)N2C4=CC=CC=C4

DOS

IR

Vibrations