Geometry & MOs

Info

ID:	33779
PubChem CID:	7888077
Reduced:	N2F3O4H17C20 (1)
Stoich.:	A2B3C4D17E20 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-258.38
Dipole, Da:	6.7
IP(EA), eV:	-9.33(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations