Geometry & MOs

Info

ID:	320296
PubChem CID:	126659358
Reduced:	FN3O3H24C29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	597.02369
ΔH_f, kcal/mol:	-64.33
Dipole, Da:	7.03
IP(EA), eV:	-9.78(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[3,4-bis(iodomethyl)benzoyl]-3-propylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)C2=CC3=CC(=C(N=C3C=C2)C4=CC=C(C=C4)F)CCCCC(=O)O)C#N

DOS

IR

Vibrations