Geometry & MOs

Info

ID:	284577
PubChem CID:	104053883
Reduced:	BrFOCl2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	234.082684
ΔH_f, kcal/mol:	-73.15
Dipole, Da:	1.31
IP(EA), eV:	-9.32(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-1,3-thiazol-5-yl)-(2,6-dimethylphenyl)methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(C2=C(C=CC(=C2)Cl)F)Cl)C)Br

DOS

IR

Vibrations