Geometry & MOs

Info

ID:	85243
PubChem CID:	49872919
Reduced:	O2N4C27H32 (1)
Stoich.:	A2B4C27D32 (1)
Weight, g/mol:	324.104482
ΔH_f, kcal/mol:	-40.12
Dipole, Da:	6.95
IP(EA), eV:	-8.22(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-6-yl)-4,4-dimethyl-3-pyridin-3-ylimidazolidin-2-one

Drug info:

PubChemData

Smile

CC1C2=C(C(=CC=C2)C(=O)N)C(=O)N1C3CCN(CC3)CC4=CN(C5=CC=CC=C54)C(C)C

DOS

IR

Vibrations