Geometry & MOs

Info

ID:	312987
PubChem CID:	126610610
Reduced:	FSO2N3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	265.052112
ΔH_f, kcal/mol:	-49.74
Dipole, Da:	3.95
IP(EA), eV:	-8.87(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-hydroxy-4-[5-(2-oxopropylsulfanyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(=O)CSC1=NNC(=N1)C2=CC(=C(C=C2)F)OC

DOS

IR

Vibrations