Geometry & MOs

Info

ID:	52940
PubChem CID:	14709249
Reduced:	OS2N5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	371.087453
ΔH_f, kcal/mol:	60.85
Dipole, Da:	4.98
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=S)NN1C(=NNC1=S)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations