Geometry & MOs

Info

ID:	69037
PubChem CID:	46516430
Reduced:	ON3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	485.196214
ΔH_f, kcal/mol:	-5.49
Dipole, Da:	7.04
IP(EA), eV:	-8.93(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

DOS

IR

Vibrations