Geometry & MOs

Info

ID:

159265

PubChem CID:

57269368

Reduced:

ClS3N5O9H12C16 (2)

Stoich.:

AB3C5D9E12F16 (2)

Weight, g/mol:

329.106168

ΔHf, kcal/mol:

-529.49

Dipole, Da:

3.8

IP(EA), eV:

 -9.76(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(1H-benzimidazol-2-yl)propoxy]-1,3-dichloropentan-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC2=NC(=NC(=N2)Cl)NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)Cl)NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations