Geometry & MOs

Info

ID:	253937
PubChem CID:	103121687
Reduced:	SO3N6C11H14 (1)
Stoich.:	AB3C6D11E14 (1)
Weight, g/mol:	283.16444
ΔH_f, kcal/mol:	-28.25
Dipole, Da:	3.48
IP(EA), eV:	-9.59(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[1-oxo-1-(pentylamino)propan-2-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=C3C=NC=CN3N=C2)S(=O)(=O)N

DOS

IR

Vibrations