Geometry & MOs

Info

ID:	284362
PubChem CID:	104045848
Reduced:	BrClNS2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	274.090662
ΔH_f, kcal/mol:	37.97
Dipole, Da:	1.03
IP(EA), eV:	-8.77(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-ethylmorpholine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)SCC2=NC(=CS2)CCCCl

DOS

IR

Vibrations