Geometry & MOs

Info

ID:	78080
PubChem CID:	49681642
Reduced:	F2S2N3O5C21H21 (1)
Stoich.:	A2B2C3D5E21F21 (1)
Weight, g/mol:	475.123563
ΔH_f, kcal/mol:	-234.33
Dipole, Da:	2.57
IP(EA), eV:	-9.33(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[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(C=C(C=C3S2)F)F)CC(=O)OC

DOS

IR

Vibrations