Geometry & MOs

Info

ID:	136702
PubChem CID:	52087394
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-167.21
Dipole, Da:	3.79
IP(EA), eV:	-8.5(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)COC3=CC=CC=C3OC)CC(C)C

DOS

IR

Vibrations