Geometry & MOs

Info

ID:	155031
PubChem CID:	56314649
Reduced:	BrFOSN3C19H23 (1)
Stoich.:	ABCDE3F19G23 (1)
Weight, g/mol:	460.205674
ΔH_f, kcal/mol:	-43.92
Dipole, Da:	1.98
IP(EA), eV:	-8.49(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)C3=C(C=CS3)Br

DOS

IR

Vibrations