Geometry & MOs

Info

ID:	154621
PubChem CID:	56314097
Reduced:	F3N4O5H19C21 (1)
Stoich.:	A3B4C5D19E21 (1)
Weight, g/mol:	457.058855
ΔH_f, kcal/mol:	-262.74
Dipole, Da:	1.94
IP(EA), eV:	-9.06(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32)OCC(F)(F)F

DOS

IR

Vibrations