Geometry & MOs

Info

ID:	24948
PubChem CID:	615113
Reduced:	BrSN3O3H18C21 (1)
Stoich.:	ABC3D3E18F21 (1)
Weight, g/mol:	471.02523
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	10.32
IP(EA), eV:	-8.9(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-1,3-benzothiazol-2-yl)-1-butyl-2-hydroxy-4-oxoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

DOS

IR

Vibrations