Geometry & MOs

Info

ID:	191589
PubChem CID:	78165491
Reduced:	SCl2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	341.052024
ΔH_f, kcal/mol:	55.78
Dipole, Da:	5.38
IP(EA), eV:	-8.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenyl)-N-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCCC(=NNC1=NC(=CS1)C2=C(C=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations