Geometry & MOs

Info

ID:	271928
PubChem CID:	103701597
Reduced:	SN3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	296.098334
ΔH_f, kcal/mol:	65.96
Dipole, Da:	3.08
IP(EA), eV:	-8.63(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pent-4-yn-1-amine

Drug info:

PubChemData

Smile

C1CSCC1NCC2=CC=C(C=C2)N3C=CC=N3

DOS

IR

Vibrations