Geometry & MOs

Info

ID:	252741
PubChem CID:	103113693
Reduced:	SN2O3C8H18 (1)
Stoich.:	AB2C3D8E18 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-146.32
Dipole, Da:	4.34
IP(EA), eV:	-9.53(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NS(=O)(=O)CC

DOS

IR

Vibrations