Geometry & MOs

Info

ID:	85856
PubChem CID:	49879774
Reduced:	SN2Cl3O3H19C26 (1)
Stoich.:	AB2C3D3E19F26 (1)
Weight, g/mol:	319.02079
ΔH_f, kcal/mol:	1.01
Dipole, Da:	0.87
IP(EA), eV:	-9.2(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methoxyphenyl)-2-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCC2=CC=C(O2)C(=O)N/N=C/C3=CC(=C(C(=C3)Cl)OCC4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations