Geometry & MOs

Info

ID:	251566
PubChem CID:	103104935
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-23.12
Dipole, Da:	4.86
IP(EA), eV:	-9.71(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-anilino-2-oxoethyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CSC(=N2)C(C)C)C

DOS

IR

Vibrations