Geometry & MOs

Info

ID:	78060
PubChem CID:	49681618
Reduced:	S2N3O5C23H27 (1)
Stoich.:	A2B3C5D23E27 (1)
Weight, g/mol:	447.128649
ΔH_f, kcal/mol:	-114.71
Dipole, Da:	11.87
IP(EA), eV:	-8.63(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methoxyethyl)-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(C=CC(=C3S2)OC)OC)CC=C

DOS

IR

Vibrations