Geometry & MOs

Info

ID:	84125
PubChem CID:	49864328
Reduced:	ClFO3N4H20C23 (1)
Stoich.:	ABC3D4E20F23 (1)
Weight, g/mol:	496.131361
ΔH_f, kcal/mol:	-106.67
Dipole, Da:	3.24
IP(EA), eV:	-8.85(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-acetyl-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]pyrrolidine-3,4-dicarboxamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](CN1)C(=O)NC2=C(C=C(C=C2)N3C=CC=CC3=O)F)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations