Geometry & MOs

Info

ID:	227432
PubChem CID:	87561746
Reduced:	SCl2N2O3C16H16 (1)
Stoich.:	AB2C2D3E16F16 (1)
Weight, g/mol:	273.088019
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	6.25
IP(EA), eV:	-8.95(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-6-oxo-10-oxa-3,7-diazabicyclo[7.2.2]trideca-2,4-diene-4-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC(=O)N(C2=CC(=C(C=C2)Cl)Cl)S)OC

DOS

IR

Vibrations