Geometry & MOs

Info

ID:	136693
PubChem CID:	52086177
Reduced:	FN2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-173.54
Dipole, Da:	4.64
IP(EA), eV:	-8.67(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=CC2=C(C=C1)O[C@H](C(=O)N2)C)OC3=CC=C(C=C3)F

DOS

IR

Vibrations