Geometry & MOs

Info

ID:	129207
PubChem CID:	51071941
Reduced:	FN3O4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	467.25842
ΔH_f, kcal/mol:	-173.33
Dipole, Da:	9.69
IP(EA), eV:	-9.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N2CCC[C@H]2C(=O)NCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations