Geometry & MOs

Info

ID:	78116
PubChem CID:	49681685
Reduced:	S2N3O5C22H27 (1)
Stoich.:	A2B3C5D22E27 (1)
Weight, g/mol:	449.090155
ΔH_f, kcal/mol:	-145.53
Dipole, Da:	6.47
IP(EA), eV:	-8.27(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CCN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C)OC)OC

DOS

IR

Vibrations