Geometry & MOs

Info

ID:	133683
PubChem CID:	51574180
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	382.121195
ΔH_f, kcal/mol:	56.81
Dipole, Da:	1.95
IP(EA), eV:	-8.8(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

C1CC1C2=NN=C(N2CC3=CC=CO3)S[C@H](C4=CC=CC=C4)C(=O)NC5CC5

DOS

IR

Vibrations