Geometry & MOs

Info

ID:	263202
PubChem CID:	103345474
Reduced:	NF2S2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	313.074111
ΔH_f, kcal/mol:	-87.4
Dipole, Da:	1.76
IP(EA), eV:	-8.77(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dimethyl-1,4-dithian-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C(C2=CC(=C(C=C2)F)F)N)C

DOS

IR

Vibrations