Geometry & MOs

Info

ID:	324879
PubChem CID:	126678531
Reduced:	BrN2O4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	254.126657
ΔH_f, kcal/mol:	-161.02
Dipole, Da:	6.01
IP(EA), eV:	-10.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-1-[(2S)-2-isocyanato-3-methylbutanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations