Geometry & MOs

Info

ID:	339999
PubChem CID:	127262008
Reduced:	BrN2O2C10H15 (2)
Stoich.:	AB2C2D10E15 (2)
Weight, g/mol:	326.195405
ΔH_f, kcal/mol:	-185.65
Dipole, Da:	3.16
IP(EA), eV:	-9.41(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)-ethylamino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(CC(=O)N)C(C)CC(C)C)NC(=O)[C@H](CC1=CC(=C(C(=C1)Br)O)Br)N

DOS

IR

Vibrations