Geometry & MOs

Info

ID:	271642
PubChem CID:	103687013
Reduced:	ClO2S2N3H6C12 (1)
Stoich.:	AB2C2D3E6F12 (1)
Weight, g/mol:	237.122575
ΔH_f, kcal/mol:	44.08
Dipole, Da:	8.48
IP(EA), eV:	-9.59(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(S2)Cl)C#N)C#N

DOS

IR

Vibrations