Geometry & MOs

Info

ID:	68723
PubChem CID:	46508983
Reduced:	ClSN3O6H16C23 (1)
Stoich.:	ABC3D6E16F23 (1)
Weight, g/mol:	352.109293
ΔH_f, kcal/mol:	-67.36
Dipole, Da:	5.64
IP(EA), eV:	-9.18(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1,2-oxazol-3-yl)methyl 4-(butan-2-ylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=CC=CC=C3NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

DOS

IR

Vibrations