Geometry & MOs

Info

ID:	61638
PubChem CID:	26711298
Reduced:	BrSN3O4C19H22 (1)
Stoich.:	ABC3D4E19F22 (1)
Weight, g/mol:	499.09687
ΔH_f, kcal/mol:	-118.68
Dipole, Da:	5.14
IP(EA), eV:	-8.72(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[4-chloro-3-[methyl(phenyl)sulfamoyl]benzoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=CN=C(C=C3)OC

DOS

IR

Vibrations