Geometry & MOs

Info

ID:	314954
PubChem CID:	126624008
Reduced:	ClSO3N4H5C7 (1)
Stoich.:	ABC3D4E5F7 (1)
Weight, g/mol:	513.217618
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	3.92
IP(EA), eV:	-9.68(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-benzyl-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C(C(=O)O)N1C2=C(C(=N1)C(=O)N)SC(=N2)Cl

DOS

IR

Vibrations