Geometry & MOs

Info

ID:	78594
PubChem CID:	49693744
Reduced:	ClSN3O5C20H22 (1)
Stoich.:	ABC3D5E20F22 (1)
Weight, g/mol:	468.069275
ΔH_f, kcal/mol:	-107.25
Dipole, Da:	8.05
IP(EA), eV:	-9.15(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[butyl(methyl)sulfamoyl]-N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(O2)CC3=CC=C(S3)Cl

DOS

IR

Vibrations