Geometry & MOs

Info

ID:	144328
PubChem CID:	53350895
Reduced:	BrOSN2H14C17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	273.986016
ΔH_f, kcal/mol:	71.62
Dipole, Da:	2.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.928173
Charge, e:	-1

Chem-info

IUPAC name:

4-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;chloride

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC2=NC(=CS2)C3=CC=CC=C3.[Br-]

DOS

IR

Vibrations