Geometry & MOs

Info

ID:	223699
PubChem CID:	85335439
Reduced:	ClO3N5C25H40 (1)
Stoich.:	AB3C5D25E40 (1)
Weight, g/mol:	494.137731
ΔH_f, kcal/mol:	-156.75
Dipole, Da:	1.5
IP(EA), eV:	-8.65(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-fluoro-4-[5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCCCC(C(=O)NCC1CCCCC1)N2CCC(CC2)CNC(=O)C3C=C(C(=NC3=O)N)Cl

DOS

IR

Vibrations