Geometry & MOs

Info

ID:	38773
PubChem CID:	8137905
Reduced:	FN2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	403.221954
ΔH_f, kcal/mol:	-125.97
Dipole, Da:	3.55
IP(EA), eV:	-9.42(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(carbamoylamino)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)O[C@@H](C)C2=NN=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations