Geometry & MOs

Info

ID:	31357
PubChem CID:	855616
Reduced:	SO4N5C13H15 (1)
Stoich.:	AB4C5D13E15 (1)
Weight, g/mol:	343.110296
ΔH_f, kcal/mol:	-55.79
Dipole, Da:	4.14
IP(EA), eV:	-9.98(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3)C(=O)O

DOS

IR

Vibrations