Geometry & MOs

Info

ID:	78587
PubChem CID:	49693731
Reduced:	ClSN3O4H12C16 (1)
Stoich.:	ABC3D4E12F16 (1)
Weight, g/mol:	480.069275
ΔH_f, kcal/mol:	-53.8
Dipole, Da:	4.17
IP(EA), eV:	-9.44(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)CC3=CC=C(S3)Cl

DOS

IR

Vibrations