Geometry & MOs

Info

ID:	139081
PubChem CID:	52469358
Reduced:	F3N3O3C17H20 (1)
Stoich.:	A3B3C3D17E20 (1)
Weight, g/mol:	371.145676
ΔH_f, kcal/mol:	-285.39
Dipole, Da:	6.29
IP(EA), eV:	-9.13(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)NC(=O)[C@H]1CC(=O)N(C1)C2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations