Geometry & MOs

Info

ID:	129196
PubChem CID:	51071908
Reduced:	FN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	428.149598
ΔH_f, kcal/mol:	-176.72
Dipole, Da:	6.22
IP(EA), eV:	-9.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC[C@H]1C(=O)NCCNC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations