Geometry & MOs

Info

ID:	136703
PubChem CID:	52087395
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	436.095663
ΔH_f, kcal/mol:	-165.82
Dipole, Da:	6.67
IP(EA), eV:	-8.39(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenoxy)-N-[(2R)-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