Geometry & MOs

Info

ID:	128437
PubChem CID:	51044389
Reduced:	N2S2O3C16H22 (1)
Stoich.:	A2B2C3D16E22 (1)
Weight, g/mol:	304.147016
ΔH_f, kcal/mol:	-60.72
Dipole, Da:	5.35
IP(EA), eV:	-9.16(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-methyl-5-(2-methylpropyl)pyrazol-3-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CC1=C(ON=C1C)C2=CSC(=C2)S(=O)(=O)N(C)C3CCCCC3

DOS

IR

Vibrations