Geometry & MOs

Info

ID:	86062
PubChem CID:	49881530
Reduced:	O2S2N4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	409.091869
ΔH_f, kcal/mol:	0.32
Dipole, Da:	3.53
IP(EA), eV:	-9.06(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzofuran-2-yl)-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)SC2=NN=C(N2CC=C)CSC3=CC=CC=C3

DOS

IR

Vibrations