Geometry & MOs

Info

ID:	32080
PubChem CID:	4265968
Reduced:	N4O5H20C25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	497.934409
ΔH_f, kcal/mol:	-48.71
Dipole, Da:	4.58
IP(EA), eV:	-8.8(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-3,5-dichloro-2-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OCC2=CC=CC=C2C#N)OC)C=NN3C(=O)C4=CC=CC=C4NC3=O

DOS

IR

Vibrations