Geometry & MOs

Info

ID:	292307
PubChem CID:	114916476
Reduced:	NS2O4C11H15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	262.125218
ΔH_f, kcal/mol:	-132.93
Dipole, Da:	5.19
IP(EA), eV:	-8.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-3-amine

Drug info:

PubChemData

Smile

CC1=CSC(=C1NS(=O)(=O)CC2CC2)C(=O)OC

DOS

IR

Vibrations