Geometry & MOs

Info

ID:	136695
PubChem CID:	52086531
Reduced:	FN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-172.84
Dipole, Da:	3.12
IP(EA), eV:	-8.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-ethylphenoxy)propanamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)NC(=O)[C@@H](C)OC3=CC=C(C=C3)F)O[C@@H](C1=O)C

DOS

IR

Vibrations