Geometry & MOs

Info

ID:	129208
PubChem CID:	51071942
Reduced:	FN3O3C27H34 (1)
Stoich.:	AB3C3D27E34 (1)
Weight, g/mol:	417.125547
ΔH_f, kcal/mol:	-167.34
Dipole, Da:	4.9
IP(EA), eV:	-9.38(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3-chlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(C=C1)C(=O)N2CCC[C@H]2C(=O)NCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations