Geometry & MOs

Info

ID:	314662
PubChem CID:	126622598
Reduced:	OBr2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	572.03184
ΔH_f, kcal/mol:	-34.37
Dipole, Da:	2.96
IP(EA), eV:	-9.55(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-(3-acetyl-5-bromo-2-oxobenzimidazol-1-yl)acetyl]-N-[2-fluoro-3-(trifluoromethoxy)phenyl]azetidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC(Br)Br)OCC1=CC=CC=C1

DOS

IR

Vibrations