Geometry & MOs

Info

ID:	31165
PubChem CID:	854919
Reduced:	FO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	301.073242
ΔH_f, kcal/mol:	-125.59
Dipole, Da:	6.82
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1,1-dioxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,2,5-thiadiazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)F)C

DOS

IR

Vibrations