Geometry & MOs

Info

ID:	143846
PubChem CID:	53268703
Reduced:	SN2O2H18C25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	404.05169
ΔH_f, kcal/mol:	38.78
Dipole, Da:	4.39
IP(EA), eV:	-8.69(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

DOS

IR

Vibrations