Geometry & MOs

Info

ID:	189222
PubChem CID:	77828915
Reduced:	ClN3O3C27H32 (1)
Stoich.:	AB3C3D27E32 (1)
Weight, g/mol:	553.424343
ΔH_f, kcal/mol:	-56.29
Dipole, Da:	6.94
IP(EA), eV:	-9.16(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-hydroxyprop-2-enyl)octadecanamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=NOC(=N1)C2=CC=CC=C2)NC(=O)C(CCCC3=CC=C(C=C3)Cl)CC(=C)O

DOS

IR

Vibrations