Geometry & MOs

Info

ID:	85591
PubChem CID:	49877392
Reduced:	ClSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	500.086937
ΔH_f, kcal/mol:	58.58
Dipole, Da:	4.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

N-[4-[5-methyl-2-(4-phenylmethoxyanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide;chloride

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)C)N3CCCC3.[Cl-]

DOS

IR

Vibrations