Geometry & MOs

Info

ID:	78082
PubChem CID:	49681646
Reduced:	FS2N3O5C22H24 (1)
Stoich.:	AB2C3D5E22F24 (1)
Weight, g/mol:	487.123563
ΔH_f, kcal/mol:	-194.2
Dipole, Da:	4.63
IP(EA), eV:	-9.18(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C)F

DOS

IR

Vibrations