Geometry & MOs

Info

ID:	78100
PubChem CID:	49681666
Reduced:	S2N3O5C21H23 (1)
Stoich.:	A2B3C5D21E23 (1)
Weight, g/mol:	481.01295
ΔH_f, kcal/mol:	-133.27
Dipole, Da:	5.93
IP(EA), eV:	-8.59(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CCN1C2=CC3=C(C=C2SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C(C)C)OCO3

DOS

IR

Vibrations