Geometry & MOs

Info

ID:	335694
PubChem CID:	127254556
Reduced:	ClSN3O3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	-81.78
Dipole, Da:	5.26
IP(EA), eV:	-8.09(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C3=C(C=C(C=C3)N4CCCCS4(=O)=O)Cl

DOS

IR

Vibrations