Geometry & MOs

Info

ID:	142683
PubChem CID:	53075298
Reduced:	BrSN3O3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	418.074719
ΔH_f, kcal/mol:	-14.63
Dipole, Da:	8.53
IP(EA), eV:	-9.18(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)CC4=CC=CC=C4Br

DOS

IR

Vibrations