Geometry & MOs

Info

ID:	65009
PubChem CID:	29204329
Reduced:	SCl3N3O3H12C14 (1)
Stoich.:	AB3C3D3E12F14 (1)
Weight, g/mol:	398.994424
ΔH_f, kcal/mol:	-68.49
Dipole, Da:	4.98
IP(EA), eV:	-9.48(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC2=C(C=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations