Geometry & MOs

Info

ID:	196356
PubChem CID:	78815035
Reduced:	SO2N5H19C23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	434.087118
ΔH_f, kcal/mol:	70.44
Dipole, Da:	7.03
IP(EA), eV:	-8.77(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(N2CC3=CC=CO3)SCC4=CC(=O)N5C=CC=CC5=N4

DOS

IR

Vibrations