Geometry & MOs

Info

ID:	52942
PubChem CID:	14709252
Reduced:	SO2N4C11H12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	278.083747
ΔH_f, kcal/mol:	15.09
Dipole, Da:	4.6
IP(EA), eV:	-8.84(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NNC(=S)N2NC=O

DOS

IR

Vibrations