Geometry & MOs

Info

ID:	60999
PubChem CID:	26704033
Reduced:	ClFO3N4C22H22 (1)
Stoich.:	ABC3D4E22F22 (1)
Weight, g/mol:	478.131091
ΔH_f, kcal/mol:	-131.58
Dipole, Da:	4.66
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Cl)F)N

DOS

IR

Vibrations