Geometry & MOs

Info

ID:	85534
PubChem CID:	49876557
Reduced:	OSCl3N3H17C19 (1)
Stoich.:	ABC3D3E17F19 (1)
Weight, g/mol:	411.01667
ΔH_f, kcal/mol:	34.87
Dipole, Da:	5.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750072
Charge, e:	-1

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine;bromide

Drug info:

PubChemData

Smile

CCN1C(=CSC1=NC2=CC=C(C=C2)NC(=O)C)C3=C(C=C(C=C3)Cl)Cl.[Cl-]

DOS

IR

Vibrations