Geometry & MOs

Info

ID:	24949
PubChem CID:	615114
Reduced:	BrSN3O3H20C22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	485.04088
ΔH_f, kcal/mol:	-67.57
Dipole, Da:	4.44
IP(EA), eV:	-9.24(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

DOS

IR

Vibrations