Geometry & MOs

Info

ID:	122970
PubChem CID:	50829019
Reduced:	S2N4O5C20H22 (1)
Stoich.:	A2B4C5D20E22 (1)
Weight, g/mol:	447.103497
ΔH_f, kcal/mol:	-86.86
Dipole, Da:	10.47
IP(EA), eV:	-8.53(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CSC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations