Geometry & MOs

Info

ID:	252727
PubChem CID:	103113617
Reduced:	SN3O3C12H19 (1)
Stoich.:	AB3C3D12E19 (1)
Weight, g/mol:	309.089561
ΔH_f, kcal/mol:	-110.52
Dipole, Da:	4.38
IP(EA), eV:	-8.99(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=C(N=CS1)C(=O)OCC

DOS

IR

Vibrations