Geometry & MOs

Info

ID:	77904
PubChem CID:	49668401
Reduced:	OSF2N4C26H30 (1)
Stoich.:	ABC2D4E26F30 (1)
Weight, g/mol:	414.11619
ΔH_f, kcal/mol:	-56.54
Dipole, Da:	3.8
IP(EA), eV:	-8.71(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=NC3(CCN(CC3)C)N=C2SCC(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations