Geometry & MOs

Info

ID:	26442
PubChem CID:	647878
Reduced:	S2O5H14C16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	220.078268
ΔH_f, kcal/mol:	-102.17
Dipole, Da:	9.01
IP(EA), eV:	-9.86(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

C=CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C=C

DOS

IR

Vibrations