Geometry & MOs

Info

ID:

440475

PubChem CID:

135230454

Reduced:

F2O3N6C28H28 (1)

Stoich.:

A2B3C6D28E28 (1)

Weight, g/mol:

1121.18298

ΔHf, kcal/mol:

-63.58

Dipole, Da:

4.2

IP(EA), eV:

 -8.75(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[6-[[6-iodo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-3-yl]-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanyl-N-[2-[1-(1-methyltetrazol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazol-5-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)C5=CN=C(C=C5)OC)C

DOS

IR

Vibrations