Geometry & MOs

Info

ID:	129203
PubChem CID:	51071927
Reduced:	F2N3O3C21H21 (1)
Stoich.:	A2B3C3D21E21 (1)
Weight, g/mol:	427.154349
ΔH_f, kcal/mol:	-181.38
Dipole, Da:	9.74
IP(EA), eV:	-9.52(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(1,3-benzodioxole-5-carbonyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC=CC=C2F)C(=O)NCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations