Geometry & MOs

Info

ID:	155800
PubChem CID:	56367618
Reduced:	BrSN4O4H15C16 (1)
Stoich.:	ABC4D4E15F16 (1)
Weight, g/mol:	410.00328
ΔH_f, kcal/mol:	-97.67
Dipole, Da:	13.45
IP(EA), eV:	-8.68(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-(3-chlorophenoxy)propanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2=CC=CN3C2=NS(=O)(=O)CC3

DOS

IR

Vibrations