Geometry & MOs

Info

ID:	155772
PubChem CID:	56367478
Reduced:	BrN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	480.0177
ΔH_f, kcal/mol:	-59.8
Dipole, Da:	9.68
IP(EA), eV:	-8.81(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2=CC=CN(C2=O)CC3=CC=CC=C3

DOS

IR

Vibrations