Geometry & MOs

Info

ID:	271610
PubChem CID:	103685836
Reduced:	ClNS2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	268.106791
ΔH_f, kcal/mol:	71.08
Dipole, Da:	2.34
IP(EA), eV:	-8.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-prop-2-ynylsulfanylethanamine

Drug info:

PubChemData

Smile

C#CCSCCNCC1=C(C2=CC=CC=C2S1)Cl

DOS

IR

Vibrations