Geometry & MOs

Info

ID:	71116
PubChem CID:	48414310
Reduced:	FO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-70.76
Dipole, Da:	6.03
IP(EA), eV:	-9.54(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CNC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations