Geometry & MOs

Info

ID:	85799
PubChem CID:	49879316
Reduced:	OSN3C8H11 (2)
Stoich.:	ABC3D8E11 (2)
Weight, g/mol:	406.088181
ΔH_f, kcal/mol:	-9.88
Dipole, Da:	6.72
IP(EA), eV:	-9.69(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[4-(furan-2-ylmethylamino)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2=NN=C(S2)CCCC(=O)NC3CCCC3

DOS

IR

Vibrations