Geometry & MOs

Info

ID:	295642
PubChem CID:	117541205
Reduced:	BrOSN2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	326.00885
ΔH_f, kcal/mol:	1.51
Dipole, Da:	4.22
IP(EA), eV:	-8.84(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[2-(2-methoxyphenyl)ethyl]-N-methyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCC2=C(N=C(S2)N)Br

DOS

IR

Vibrations