Geometry & MOs

Info

ID:	153105
PubChem CID:	56312239
Reduced:	SN3O5C26H29 (1)
Stoich.:	AB3C5D26E29 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	-120.4
Dipole, Da:	4.98
IP(EA), eV:	-8.21(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)OC2CCN(CC2)CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations