Geometry & MOs

Info

ID:	141429
PubChem CID:	52876823
Reduced:	ClFOSN2H20C22 (1)
Stoich.:	ABCDE2F20G22 (1)
Weight, g/mol:	449.279075
ΔH_f, kcal/mol:	-29.7
Dipole, Da:	5.4
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CN=C(S2)CC3=CC=C(C=C3)F)CC4=CC=CC=C4Cl

DOS

IR

Vibrations