Geometry & MOs

Info

ID:	135604
PubChem CID:	51899913
Reduced:	N3O6C17H17 (1)
Stoich.:	A3B6C17D17 (1)
Weight, g/mol:	222.064057
ΔH_f, kcal/mol:	-170.25
Dipole, Da:	6.6
IP(EA), eV:	-9.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-ethyl-6-nitro-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC(=O)NNC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CO2

DOS

IR

Vibrations