Geometry & MOs

Info

ID:	312983
PubChem CID:	126610605
Reduced:	OSN4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	297.058341
ΔH_f, kcal/mol:	61.58
Dipole, Da:	6.05
IP(EA), eV:	-8.8(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-fluoro-6-methoxy-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=CC3=C(C=C2)N=CC=C3

DOS

IR

Vibrations