Geometry & MOs

Info

ID:	266863
PubChem CID:	103579792
Reduced:	FSCl2N2H9C11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	289.984753
ΔH_f, kcal/mol:	-13.42
Dipole, Da:	6.58
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CNC2=CC(=C(C(=C2)Cl)F)Cl

DOS

IR

Vibrations