Geometry & MOs

Info

ID:	379320
PubChem CID:	134358034
Reduced:	O3N8H32C34 (1)
Stoich.:	A3B8C32D34 (1)
Weight, g/mol:	345.143704
ΔH_f, kcal/mol:	153.66
Dipole, Da:	0.68
IP(EA), eV:	-8.29(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(prop-2-enylcarbamoylamino)propanamide

Drug info:

PubChemData

Smile

CCCCNOC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)NC

DOS

IR

Vibrations