Geometry & MOs

Info

ID:	31242
PubChem CID:	855322
Reduced:	SO2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	328.099397
ΔH_f, kcal/mol:	-3.2
Dipole, Da:	6.87
IP(EA), eV:	-9.51(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide

Drug info:

PubChemData

Smile

COCC(=O)NC1=NN=C(S1)CC2=CC=CC=C2

DOS

IR

Vibrations