Geometry & MOs

Info

ID:	137882
PubChem CID:	52279471
Reduced:	BrFN2O2H18C19 (1)
Stoich.:	ABC2D2E18F19 (1)
Weight, g/mol:	398.00999
ΔH_f, kcal/mol:	-82.43
Dipole, Da:	4.64
IP(EA), eV:	-9.11(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(2S)-1-[(2-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1F)C(=O)[C@H]2CCN(C2=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations