Geometry & MOs

Info

ID:	284361
PubChem CID:	104045846
Reduced:	NS2O5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	360.93613
ΔH_f, kcal/mol:	-205.64
Dipole, Da:	5.41
IP(EA), eV:	-9.59(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromophenyl)sulfanylmethyl]-4-(3-chloropropyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)OC(=O)CC2=CC=C(S2)S(=O)(=O)N

DOS

IR

Vibrations