Geometry & MOs

Info

ID:	52939
PubChem CID:	14709248
Reduced:	OSN4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	309.071802
ΔH_f, kcal/mol:	29.88
Dipole, Da:	4.75
IP(EA), eV:	-8.66(-0.25)
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-methylthiourea

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)CC2=NNC(=S)N2N

DOS

IR

Vibrations