Geometry & MOs

Info

ID:

180169

PubChem CID:

76588451

Reduced:

FCl2O3N5C44H50 (1)

Stoich.:

AB2C3D5E44F50 (1)

Weight, g/mol:

741.296094

ΔHf, kcal/mol:

-119.88

Dipole, Da:

5.21

IP(EA), eV:

 -9.28(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-(6-tert-butyl-4-ethoxypyridin-3-yl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-pyridin-3-ylacetamide

Drug info:

PubChemData

Smile

CCOC1=CC(=NC=C1C2=NC(C(N2C(=O)N3CCC(CC3)CC(=O)NCCC4=CC(=CC=C4)F)(C)C5=CC=C(C=C5)Cl)(C)C6=CC=C(C=C6)Cl)C(C)(C)C

DOS

IR

Vibrations