Geometry & MOs

Info

ID:	282642
PubChem CID:	103933834
Reduced:	O2S2N3C12H15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	269.065654
ΔH_f, kcal/mol:	2.71
Dipole, Da:	4.46
IP(EA), eV:	-8.28(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CNC2=NN=CS2)SC)OC

DOS

IR

Vibrations