Geometry & MOs

Info

ID:	136700
PubChem CID:	52087392
Reduced:	N3O6C21H23 (1)
Stoich.:	A3B6C21D23 (1)
Weight, g/mol:	413.158685
ΔH_f, kcal/mol:	-133.6
Dipole, Da:	6.24
IP(EA), eV:	-8.41(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations