Geometry & MOs

Info

ID:	129200
PubChem CID:	51071923
Reduced:	ClFN3O4C22H23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	427.190734
ΔH_f, kcal/mol:	-179.28
Dipole, Da:	7.02
IP(EA), eV:	-9.42(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)COC2=CC=C(C=C2)Cl)C(=O)NCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations