Geometry & MOs

Info

ID:	153449
PubChem CID:	56312648
Reduced:	FO3N5C27H38 (1)
Stoich.:	AB3C5D27E38 (1)
Weight, g/mol:	416.120607
ΔH_f, kcal/mol:	-181.62
Dipole, Da:	5.38
IP(EA), eV:	-9.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations