Geometry & MOs

Info

ID:	31219
PubChem CID:	855228
Reduced:	SO2N4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	346.089975
ΔH_f, kcal/mol:	-36.82
Dipole, Da:	4.04
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2-[[4-methyl-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)NC(C)(C)C

DOS

IR

Vibrations