Geometry & MOs

Info

ID:	49726
PubChem CID:	11533667
Reduced:	BrF2N4O4C21H27 (1)
Stoich.:	AB2C4D4E21F27 (1)
Weight, g/mol:	517.249649
ΔH_f, kcal/mol:	-253.75
Dipole, Da:	12.48
IP(EA), eV:	-8.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-3-methyl-1-[[(2S)-3-[(4-methylbenzoyl)amino]-2-[(6-phenylpyrazine-2-carbonyl)amino]propanoyl]amino]butyl]boronic acid

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=C(N=C1NCCCNC(=O)C(C)(C)O)OCC2=C(C=C(C=C2)F)F)Br

DOS

IR

Vibrations