Geometry & MOs

Info

ID:	71126
PubChem CID:	48414328
Reduced:	F2O2N3C21H21 (1)
Stoich.:	A2B2C3D21E21 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-85.36
Dipole, Da:	2.77
IP(EA), eV:	-9.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CCC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations