Geometry & MOs

Info

ID:	142485
PubChem CID:	53042331
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	506.145776
ΔH_f, kcal/mol:	-11.95
Dipole, Da:	2.64
IP(EA), eV:	-8.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C2=NOC(=N2)C3CCC3)NC(=O)CNC(=O)C4=CC=CC=C4

DOS

IR

Vibrations