Geometry & MOs

Info

ID:	183599
PubChem CID:	77044361
Reduced:	SO4N6C10H18 (1)
Stoich.:	AB4C6D10E18 (1)
Weight, g/mol:	274.154209
ΔH_f, kcal/mol:	-104.08
Dipole, Da:	4.18
IP(EA), eV:	-9.87(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1C(C(NN1)C(=O)O)S(=O)(=O)NCCCC2=NC=NN2

DOS

IR

Vibrations