Geometry & MOs

Info

ID:	54669
PubChem CID:	17389074
Reduced:	SO2N3C9H15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	308.057926
ΔH_f, kcal/mol:	-60.06
Dipole, Da:	4.72
IP(EA), eV:	-8.73(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(5-methyl-1H-1,2,4-triazol-3-yl) 2-(4-methoxy-3-nitrophenyl)ethanethioate

Drug info:

PubChemData

Smile

CCCCOC(=O)CSC1=NNC(=N1)C

DOS

IR

Vibrations