Geometry & MOs

Info

ID:	314638
PubChem CID:	126622535
Reduced:	BrFSN6O6C28H34 (1)
Stoich.:	ABCD6E6F28G34 (1)
Weight, g/mol:	330.131047
ΔH_f, kcal/mol:	-237.03
Dipole, Da:	4.64
IP(EA), eV:	-8.85(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-tert-butyl-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)COC1=CC2=C(C=C1)N(C=C2C(=O)N)CC(=O)N3CCC(CC[C@H]3C(=O)NC4=NC(=CC=C4)Br)F

DOS

IR

Vibrations