Geometry & MOs

Info

ID:

440478

PubChem CID:

135230462

Reduced:

F2O4N9C32H37 (1)

Stoich.:

A2B4C9D32E37 (1)

Weight, g/mol:

426.114192

ΔHf, kcal/mol:

-87.97

Dipole, Da:

12.33

IP(EA), eV:

 -8.7(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)OC3CCN(CC3)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC(=C6)F)F)CCOC

DOS

IR

Vibrations