Geometry & MOs

Info

ID:	31220
PubChem CID:	855231
Reduced:	FSO2N4H15C16 (1)
Stoich.:	ABC2D4E15F16 (1)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	-36.06
Dipole, Da:	6.77
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-ethylphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations