Geometry & MOs

Info

ID:	148847
PubChem CID:	53788516
Reduced:	ClF3O4H14C18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	529.225994
ΔH_f, kcal/mol:	-268.36
Dipole, Da:	4.77
IP(EA), eV:	-9.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-[4-amino-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-4-methylphenyl]-2-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC(C=CC(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl

DOS

IR

Vibrations