Geometry & MOs

Info

ID:	68609
PubChem CID:	46508759
Reduced:	OSF3N6H17C20 (1)
Stoich.:	ABC3D6E17F20 (1)
Weight, g/mol:	499.210721
ΔH_f, kcal/mol:	-74.87
Dipole, Da:	11.32
IP(EA), eV:	-9.17(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-(4-methoxyphenyl)-3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC3=C(N4C(=NC(=N4)C(F)(F)F)N=C3C)C

DOS

IR

Vibrations