Geometry & MOs

Info

ID:	324875
PubChem CID:	126678524
Reduced:	BrFO4N6C25H36 (1)
Stoich.:	ABC4D6E25F36 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-197.78
Dipole, Da:	4.56
IP(EA), eV:	-9.53(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations