Geometry & MOs

Info

ID:	129202
PubChem CID:	51071926
Reduced:	FN3O3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	401.155098
ΔH_f, kcal/mol:	-146.13
Dipole, Da:	7.56
IP(EA), eV:	-9.12(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)NCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations