Geometry & MOs

Info

ID:	136706
PubChem CID:	52087398
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	414.195486
ΔH_f, kcal/mol:	-135.79
Dipole, Da:	4.53
IP(EA), eV:	-8.42(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-fluorophenoxy)-N-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]butanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)COC3=CC=CC=C3C)CC(C)C

DOS

IR

Vibrations