Geometry & MOs

Info

ID:	245357
PubChem CID:	99443823
Reduced:	BrFN2O2C19H20 (1)
Stoich.:	ABC2D2E19F20 (1)
Weight, g/mol:	428.02055
ΔH_f, kcal/mol:	-86.7
Dipole, Da:	1.33
IP(EA), eV:	-9.44(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[(5-bromo-2-fluorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=C(C=CC(=C1)Br)F)C(=O)CN(C)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations