Geometry & MOs

Info

ID:	136705
PubChem CID:	52087397
Reduced:	Cl2N2O4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-145.86
Dipole, Da:	4.13
IP(EA), eV:	-8.53(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)CC(C)C

DOS

IR

Vibrations