Geometry & MOs

Info

ID:	84191
PubChem CID:	49864899
Reduced:	FSN3O3H22C27 (1)
Stoich.:	ABC3D3E22F27 (1)
Weight, g/mol:	471.263425
ΔH_f, kcal/mol:	-62.56
Dipole, Da:	5.54
IP(EA), eV:	-8.72(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[1-[(1-methylindol-3-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C/C(=C/1\C2=C(C=CC(=C2)F)N(C1=O)C3=CC4=C(CCC4)C=C3)/NNC(=S)C5=CC=C(C=C5)C(=O)O

DOS

IR

Vibrations