Geometry & MOs

Info

ID:	129204
PubChem CID:	51071933
Reduced:	FN3O5C22H22 (1)
Stoich.:	AB3C5D22E22 (1)
Weight, g/mol:	427.190734
ΔH_f, kcal/mol:	-198.42
Dipole, Da:	7.8
IP(EA), eV:	-9.35(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCNC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations