Geometry & MOs

Info

ID:	191739
PubChem CID:	78183142
Reduced:	SN3O4C7H7 (1)
Stoich.:	AB3C4D7E7 (1)
Weight, g/mol:	284.099494
ΔH_f, kcal/mol:	-99.89
Dipole, Da:	3.3
IP(EA), eV:	-9.72(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[10-(hydroxymethyl)-6-methyl-3,5-dioxo-8,11-dioxa-2,4-diazatricyclo[7.2.1.02,7]dodecan-12-yl]imino-iminoazanium

Drug info:

PubChemData

Smile

CC1=CC(=O)C2C(=O)NS(=NC2=N1)(=O)O

DOS

IR

Vibrations