Geometry & MOs

Info

ID:	274017
PubChem CID:	103806530
Reduced:	BrOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	336.02735
ΔH_f, kcal/mol:	22.55
Dipole, Da:	3.49
IP(EA), eV:	-9.51(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CNC(=O)C2=CSC(=C2)Br)N

DOS

IR

Vibrations