Geometry & MOs

Info

ID:	122862
PubChem CID:	50824673
Reduced:	SN4O5C20H24 (1)
Stoich.:	AB4C5D20E24 (1)
Weight, g/mol:	452.035747
ΔH_f, kcal/mol:	-106.13
Dipole, Da:	4.48
IP(EA), eV:	-9.23(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC4=NOC(=N4)C5CCC5

DOS

IR

Vibrations