Geometry & MOs

Info

ID:	78104
PubChem CID:	49681672
Reduced:	S2N3O3C21H25 (1)
Stoich.:	A2B3C3D21E25 (1)
Weight, g/mol:	487.123563
ΔH_f, kcal/mol:	-69.94
Dipole, Da:	9.67
IP(EA), eV:	-8.84(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C)S2)C

DOS

IR

Vibrations