Geometry & MOs

Info

ID:	64352
PubChem CID:	29199250
Reduced:	ClO2S2N4C19H24 (1)
Stoich.:	AB2C2D4E19F24 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	26.98
Dipole, Da:	4.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752140
Charge, e:	0

Chem-info

IUPAC name:

6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-phenylhexanamide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)[C@@H](CNS(=O)(=O)C2=CC=C(S2)Cl)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations