Geometry & MOs

Info

ID:	422610
PubChem CID:	135118134
Reduced:	N3O3H14C15 (2)
Stoich.:	A3B3C14D15 (2)
Weight, g/mol:	372.14337
ΔH_f, kcal/mol:	-93.38
Dipole, Da:	8.2
IP(EA), eV:	-9.36(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)C5=CC(=CC=C5)N6C=NN=C6

DOS

IR

Vibrations