Geometry & MOs

Info

ID:	262424
PubChem CID:	103292732
Reduced:	ClN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	331.93857
ΔH_f, kcal/mol:	-86.87
Dipole, Da:	7.13
IP(EA), eV:	-9.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NCC2=C(C=CC=C2Cl)OC)C(=O)O

DOS

IR

Vibrations