Geometry & MOs

Info

ID:	38787
PubChem CID:	8137926
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	402.226705
ΔH_f, kcal/mol:	-39.71
Dipole, Da:	5.4
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC(=O)NCCCCCC2=NC(=NO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations