Geometry & MOs

Info

ID:	449893
PubChem CID:	135302345
Reduced:	FON3H14C15 (2)
Stoich.:	ABC3D14E15 (2)
Weight, g/mol:	514.203862
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	4.23
IP(EA), eV:	-8.76(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-1-[1-[3-(6-methoxy-1,3-benzothiazol-2-yl)benzoyl]piperidin-4-yl]-3-methylurea

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C5=NC6=C(O5)C=CC(=C6)C(C)(F)F

DOS

IR

Vibrations