Geometry & MOs

Info

ID:	78065
PubChem CID:	49681625
Reduced:	S2N3O5C22H27 (1)
Stoich.:	A2B3C5D22E27 (1)
Weight, g/mol:	491.154863
ΔH_f, kcal/mol:	-145.14
Dipole, Da:	4.74
IP(EA), eV:	-8.66(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-ethoxy-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(S2)C=C(C=C3)OC)CCOC

DOS

IR

Vibrations