Geometry & MOs

Info

ID:	225889
PubChem CID:	87235933
Reduced:	FN2O5C11H11 (1)
Stoich.:	AB2C5D11E11 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	-205.26
Dipole, Da:	4.51
IP(EA), eV:	-10.16(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(1,1-dihydroxy-4H-1lambda4,2,4-benzothiadiazin-3-ylidene)-1-(2-ethylbutyl)-5,6-dimethylpyridine-2,4-dione

Drug info:

PubChemData

Smile

C#C[C@]1([C@@H]([C@H](O[C@@H]1N2C=CC(=O)NC2=O)CO)O)F

DOS

IR

Vibrations