Geometry & MOs

Info

ID:	162731
PubChem CID:	57551970
Reduced:	BrFO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	559.202004
ΔH_f, kcal/mol:	-132.44
Dipole, Da:	2.15
IP(EA), eV:	-10.49(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C(=O)C(F)Br

DOS

IR

Vibrations