Geometry & MOs

Info

ID:	218519
PubChem CID:	85089564
Reduced:	ClNS2O6C20H26 (1)
Stoich.:	ABC2D6E20F26 (1)
Weight, g/mol:	478.079449
ΔH_f, kcal/mol:	-226.67
Dipole, Da:	2.17
IP(EA), eV:	-8.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-8-(6-cyano-2,4-dioxo-1,3-diazinan-1-yl)-9-hydroxy-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-6-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OS(=O)(=O)O.COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations