Geometry & MOs

Info

ID:	318947
PubChem CID:	126653798
Reduced:	ClFN2O3C19H24 (1)
Stoich.:	ABC2D3E19F24 (1)
Weight, g/mol:	433.08126
ΔH_f, kcal/mol:	-181.2
Dipole, Da:	3.17
IP(EA), eV:	-9.39(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-[(6-bromo-3-methylpyridin-2-yl)carbamoyl]-4-fluoro-4-(fluoromethyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)NC2CC2C3=CC=CC=C3Cl)F

DOS

IR

Vibrations