Geometry & MOs

Info

ID:	15857
PubChem CID:	453754
Reduced:	PF3N3O4C16H21 (1)
Stoich.:	AB3C3D4E16F21 (1)
Weight, g/mol:	407.122178
ΔH_f, kcal/mol:	-366.38
Dipole, Da:	4.4
IP(EA), eV:	-9.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[methoxy-[2-phenyl-1-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COP(=O)(C(CC1=CC=CC=C1)NC(=O)C(F)(F)F)N2CCC[C@H]2C(=O)N

DOS

IR

Vibrations