Geometry & MOs

Info

ID:	66071
PubChem CID:	46490973
Reduced:	SN3O4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	380.097683
ΔH_f, kcal/mol:	-25.0
Dipole, Da:	6.76
IP(EA), eV:	-9.44(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(=O)NNC(=O)C3CC3[N+](=O)[O-]

DOS

IR

Vibrations