Geometry & MOs

Info

ID:	317570
PubChem CID:	126643495
Reduced:	F2N3O3H27C30 (1)
Stoich.:	A2B3C3D27E30 (1)
Weight, g/mol:	401.07503
ΔH_f, kcal/mol:	-98.28
Dipole, Da:	2.66
IP(EA), eV:	-8.31(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-[(6-bromopyridin-2-yl)carbamoyl]-4-fluoro-4-methylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=C3C=CC=C(C3=C2F)CN(C4=CC(=CC(=C4)/C=C/C(=O)O)F)C(=O)C5C[C@H]6CC[C@@H]5C6)C=N1

DOS

IR

Vibrations