Geometry & MOs

Info

ID:	129209
PubChem CID:	51071943
Reduced:	ClFN3O3C21H21 (1)
Stoich.:	ABC3D3E21F21 (1)
Weight, g/mol:	350.175419
ΔH_f, kcal/mol:	-141.2
Dipole, Da:	5.18
IP(EA), eV:	-9.63(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1-N,1-N-dimethylpyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC(=CC=C2)Cl)C(=O)NCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations