Geometry & MOs

Info

ID:	324910
PubChem CID:	126678586
Reduced:	ClFO5N6C24H34 (1)
Stoich.:	ABC5D6E24F34 (1)
Weight, g/mol:	353.140927
ΔH_f, kcal/mol:	-257.96
Dipole, Da:	4.9
IP(EA), eV:	-9.16(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-1-[(2S)-3-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)OCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations