Geometry & MOs

Info

ID:	324892
PubChem CID:	126678552
Reduced:	FO5N6C26H39 (1)
Stoich.:	AB5C6D26E39 (1)
Weight, g/mol:	424.09977
ΔH_f, kcal/mol:	-250.41
Dipole, Da:	4.63
IP(EA), eV:	-9.55(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-1-[(2S)-2-[[2-(3-bromophenyl)acetyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate

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)OCC2=CC=CC=C2

DOS

IR

Vibrations