Geometry & MOs

Info

ID:	124323
PubChem CID:	50878692
Reduced:	BrN2O3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	349.099731
ΔH_f, kcal/mol:	-85.21
Dipole, Da:	3.64
IP(EA), eV:	-8.4(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[6-(1,2,4-triazol-4-yl)-1,3-benzothiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC(=C(C=C2)OC)N)C

DOS

IR

Vibrations