Geometry & MOs

Info

ID:	61118
PubChem CID:	26705827
Reduced:	ClFSN2O3C19H20 (1)
Stoich.:	ABCD2E3F19G20 (1)
Weight, g/mol:	480.069275
ΔH_f, kcal/mol:	-140.69
Dipole, Da:	7.91
IP(EA), eV:	-9.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)F

DOS

IR

Vibrations