Geometry & MOs

Info

ID:	78064
PubChem CID:	49681624
Reduced:	S2N4O6C21H24 (1)
Stoich.:	A2B4C6D21E24 (1)
Weight, g/mol:	477.139213
ΔH_f, kcal/mol:	-110.48
Dipole, Da:	6.27
IP(EA), eV:	-9.42(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-methoxy-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)[N+](=O)[O-])CCOC

DOS

IR

Vibrations