Geometry & MOs

Info

ID:	318935
PubChem CID:	126653771
Reduced:	BrClF2N2O3C17H20 (1)
Stoich.:	ABC2D2E3F17G20 (1)
Weight, g/mol:	400.136527
ΔH_f, kcal/mol:	-234.91
Dipole, Da:	1.21
IP(EA), eV:	-10.03(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-[(3-chloro-5-ethenyl-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=C(C(=CC(=C2)Br)Cl)F)F

DOS

IR

Vibrations