Geometry & MOs

Info

ID:

181539

PubChem CID:

76758886

Reduced:

O5N7C38H45 (1)

Stoich.:

A5B7C38D45 (1)

Weight, g/mol:

680.332233

ΔHf, kcal/mol:

-151.19

Dipole, Da:

6.68

IP(EA), eV:

 -8.81(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[6-[6-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]morpholine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC(=C2O1)C3=CN=C(N3)C4CCCN4C(=O)OC(C)(C)C)C5=CC=C(C=C5)C6=CN=C(N6)C7CCCN7C(=O)OC(C)(C)C

DOS

IR

Vibrations