Geometry & MOs

Info

ID:	136704
PubChem CID:	52087396
Reduced:	Cl2N2O4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	436.095663
ΔH_f, kcal/mol:	-145.92
Dipole, Da:	3.06
IP(EA), eV:	-8.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenoxy)-N-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)CC(C)C

DOS

IR

Vibrations