Geometry & MOs

Info

ID:	78063
PubChem CID:	49681623
Reduced:	FS2N3O4C21H24 (1)
Stoich.:	AB2C3D4E21F24 (1)
Weight, g/mol:	492.113727
ΔH_f, kcal/mol:	-152.49
Dipole, Da:	6.15
IP(EA), eV:	-9.1(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CCOC

DOS

IR

Vibrations