Geometry & MOs

Info

ID:	324838
PubChem CID:	126678450
Reduced:	BrF4O4N6C29H33 (1)
Stoich.:	AB4C4D6E29F33 (1)
Weight, g/mol:	346.098728
ΔH_f, kcal/mol:	-325.77
Dipole, Da:	3.69
IP(EA), eV:	-9.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-4-[(3-methylphenyl)methyl]-1,1-dioxo-2,3-dihydro-1lambda6,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)F)NC(=O)C3=CC=C(C=C3)Br)C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF

DOS

IR

Vibrations