Geometry & MOs

Info

ID:	153106
PubChem CID:	56312240
Reduced:	SO3N5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	-17.31
Dipole, Da:	6.55
IP(EA), eV:	-8.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2CCCN(C2)CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations