Geometry & MOs

Info

ID:	86074
PubChem CID:	49881665
Reduced:	OSN2C11H13 (2)
Stoich.:	ABC2D11E13 (2)
Weight, g/mol:	435.107519
ΔH_f, kcal/mol:	-2.82
Dipole, Da:	9.07
IP(EA), eV:	-8.24(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzofuran-2-yl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC=C2OC)CSC3=CC=C(C=C3)C

DOS

IR

Vibrations