Geometry & MOs

Info

ID:	129205
PubChem CID:	51071937
Reduced:	FN3O4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	409.18017
ΔH_f, kcal/mol:	-171.94
Dipole, Da:	5.41
IP(EA), eV:	-9.52(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)COCC2=CC=CC=C2)C(=O)NCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations