Geometry & MOs

Info

ID:	85541
PubChem CID:	49876693
Reduced:	SCl3O3N5H19C21 (1)
Stoich.:	AB3C3D5E19F21 (1)
Weight, g/mol:	413.181823
ΔH_f, kcal/mol:	-39.7
Dipole, Da:	6.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-4-[2,4-di(propan-2-yl)phenyl]-5-methyl-1,3-thiazol-2-amine;chloride

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC(=NC2=CC=CC=C2Cl)NC3=CC=CC=C3Cl)N.[Cl-]

DOS

IR

Vibrations