Geometry & MOs

Info

ID:	176814
PubChem CID:	76102367
Reduced:	PSN6O6C10H13 (1)
Stoich.:	ABC6D6E10F13 (1)
Weight, g/mol:	230.948998
ΔH_f, kcal/mol:	-182.75
Dipole, Da:	6.04
IP(EA), eV:	-9.12(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-6H-3,1-benzoxazine-2,4-dione

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(N=S)O)O)O)N

DOS

IR

Vibrations