Geometry & MOs

Info

ID:	158215
PubChem CID:	56463172
Reduced:	OSF3N3C22H28 (1)
Stoich.:	ABC3D3E22F28 (1)
Weight, g/mol:	475.139962
ΔH_f, kcal/mol:	-192.26
Dipole, Da:	7.77
IP(EA), eV:	-9.16(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NC2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations