Geometry & MOs

Info

ID:	136946
PubChem CID:	52127476
Reduced:	SO3N8C17H23 (1)
Stoich.:	AB3C8D17E23 (1)
Weight, g/mol:	259.081305
ΔH_f, kcal/mol:	25.14
Dipole, Da:	9.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752037
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=NC(=C(C(=N2)NC3=C(C4=C(S3)CCC4)C(=O)N)[N+](=O)[O-])N

DOS

IR

Vibrations