Geometry & MOs

Info

ID:	78081
PubChem CID:	49681644
Reduced:	S2N3O5C22H25 (1)
Stoich.:	A2B3C5D22E25 (1)
Weight, g/mol:	493.114141
ΔH_f, kcal/mol:	-150.34
Dipole, Da:	5.9
IP(EA), eV:	-8.93(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations