Geometry & MOs

Info

ID:

440253

PubChem CID:

135230184

Reduced:

OSN7C15H17 (1)

Stoich.:

ABC7D15E17 (1)

Weight, g/mol:

729.227743

ΔHf, kcal/mol:

92.36

Dipole, Da:

10.2

IP(EA), eV:

 -9.01(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4-methylpyridin-2-yl)methylsulfanyl]-3-(1-methyltetrazol-5-yl)benzimidazol-5-yl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]propanamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCCC4

DOS

IR

Vibrations