Geometry & MOs

Info

ID:	243933
PubChem CID:	99302894
Reduced:	F3N3O4C19H30 (1)
Stoich.:	A3B3C4D19E30 (1)
Weight, g/mol:	421.218841
ΔH_f, kcal/mol:	-365.26
Dipole, Da:	5.35
IP(EA), eV:	-9.31(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCC[C@@H]1CN(CCC(=O)OCC)C(=O)[C@@H]2CC(=O)N(C2)CC(F)(F)F

DOS

IR

Vibrations