Geometry & MOs

Info

ID:	86124
PubChem CID:	49882084
Reduced:	SN3O3H25C29 (1)
Stoich.:	AB3C3D25E29 (1)
Weight, g/mol:	375.071134
ΔH_f, kcal/mol:	29.85
Dipole, Da:	3.7
IP(EA), eV:	-8.44(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCCOC5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations