Geometry & MOs

Info

ID:	312988
PubChem CID:	126610615
Reduced:	SN3O3C11H11 (1)
Stoich.:	AB3C3D11E11 (1)
Weight, g/mol:	321.078327
ΔH_f, kcal/mol:	-31.53
Dipole, Da:	5.25
IP(EA), eV:	-8.35(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)CSC1=N/C(=C\2/C=CC(=O)C(=C2)O)/NN1

DOS

IR

Vibrations