Geometry & MOs

Info

ID:	78078
PubChem CID:	49681640
Reduced:	S2N3O6C22H25 (1)
Stoich.:	A2B3C6D22E25 (1)
Weight, g/mol:	479.098491
ΔH_f, kcal/mol:	-180.41
Dipole, Da:	8.41
IP(EA), eV:	-8.72(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-fluoro-2-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate

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)CC(=O)OC

DOS

IR

Vibrations