Geometry & MOs

Info

ID:	272068
PubChem CID:	103722863
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	289.063346
ΔH_f, kcal/mol:	-74.25
Dipole, Da:	2.62
IP(EA), eV:	-9.81(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(CCO)CNC(=O)C1=CSC=N1

DOS

IR

Vibrations