Geometry & MOs

Info

ID:	278102
PubChem CID:	103833378
Reduced:	SO2N3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	225.15896
ΔH_f, kcal/mol:	-64.97
Dipole, Da:	2.33
IP(EA), eV:	-9.41(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNC(=O)C2CC(CN2)OC

DOS

IR

Vibrations