Geometry & MOs

Info

ID:

320107

PubChem CID:

126658270

Reduced:

F6O8N11C56H65 (1)

Stoich.:

A6B8C11D56E65 (1)

Weight, g/mol:

466.290803

ΔHf, kcal/mol:

-487.66

Dipole, Da:

6.01

IP(EA), eV:

 -8.21(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(6-tert-butyl-5-fluoro-1H-benzimidazol-2-yl)-2,4-dimethylpentan-2-yl]-4-fluoro-2-propan-2-yl-1H-benzimidazole

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)N1CCCC1C2=NC3=C(N2)C=C(C(=C3)F)[C@@H]4CC[C@H](N4C5=CC(=C(C(=C5)F)N6CCN(CC6)C7=C(C=CC=C7F)F)F)C8=CC9=C(C=C8F)N=C(N9)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)OC)NC(=O)OC)NC(O)OC)OC

DOS

IR

Vibrations