Geometry & MOs

Info

ID:	317753
PubChem CID:	126645668
Reduced:	O2F5N6H21C22 (1)
Stoich.:	A2B5C6D21E22 (1)
Weight, g/mol:	356.086918
ΔH_f, kcal/mol:	-237.52
Dipole, Da:	5.91
IP(EA), eV:	-9.21(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-oxo-4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](C[C@H]([C@@H]1NC2=NC=NC3=NNC(=C32)C(=O)N4C[C@H](C[C@@H]4C5=C(C=CC(=C5)F)F)F)O)C(F)F

DOS

IR

Vibrations