Geometry & MOs

Info

ID:	78105
PubChem CID:	49681674
Reduced:	S2N3O5C23H25 (1)
Stoich.:	A2B3C5D23E25 (1)
Weight, g/mol:	485.107913
ΔH_f, kcal/mol:	-118.92
Dipole, Da:	8.29
IP(EA), eV:	-8.52(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(propan-2-yl)sulfamoyl]-N-(3-prop-2-ynyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC4=C(C=C3S2)OCCO4)CC=C

DOS

IR

Vibrations