Geometry & MOs

Info

ID:	150073
PubChem CID:	53789759
Reduced:	NO2C35H49 (1)
Stoich.:	AB2C35D49 (1)
Weight, g/mol:	266.021741
ΔH_f, kcal/mol:	-89.88
Dipole, Da:	6.24
IP(EA), eV:	-9.29(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutylsulfanyl)-5-methylsulfonyl-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CCCCCCCCCC(CCC)C1=C(C(=C(C=C1)CCC2=CC=C(C=C2)C#N)OC=O)C3CCCCC3

DOS

IR

Vibrations