Geometry & MOs

Info

ID:	343091
PubChem CID:	127266264
Reduced:	ClS2O3N4C11H13 (1)
Stoich.:	AB2C3D4E11F13 (1)
Weight, g/mol:	280.201159
ΔH_f, kcal/mol:	-63.61
Dipole, Da:	4.64
IP(EA), eV:	-9.57(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCNC(=O)C(C)NS(=O)(=O)C1=CC2=NC(=NC=C2S1)Cl

DOS

IR

Vibrations