Geometry & MOs

Info

ID:	207618
PubChem CID:	80427370
Reduced:	OS2N5C9H9 (1)
Stoich.:	AB2C5D9E9 (1)
Weight, g/mol:	282.013285
ΔH_f, kcal/mol:	101.49
Dipole, Da:	5.4
IP(EA), eV:	-8.39(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydroxyphenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=NSC(=N1)SC2=CC=C/C(=C(/N)\N=O)/N2

DOS

IR

Vibrations