Geometry & MOs

Info

ID:	54848
PubChem CID:	17389394
Reduced:	BrS2O4N5C31H32 (1)
Stoich.:	AB2C4D5E31F32 (1)
Weight, g/mol:	413.93599
ΔH_f, kcal/mol:	16.8
Dipole, Da:	8.19
IP(EA), eV:	-9.02(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine;hydrobromide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=NC(=CS4)C5=CC=C(C=C5)S(=O)(=O)N6CCCCC6.Br

DOS

IR

Vibrations