Geometry & MOs

Info

ID:	218075
PubChem CID:	85088823
Reduced:	ClN3O3S3H12C16 (1)
Stoich.:	AB3C3D3E12F16 (1)
Weight, g/mol:	426.9685
ΔH_f, kcal/mol:	-3.13
Dipole, Da:	3.41
IP(EA), eV:	-9.62(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-bromo-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C(=CC2=CN=CS2)C(=O)NC3=NC=C(S3)Cl

DOS

IR

Vibrations