Geometry & MOs

Info

ID:

180168

PubChem CID:

76588159

Reduced:

O9N37C57H113 (1)

Stoich.:

A9B37C57D113 (1)

Weight, g/mol:

785.327474

ΔHf, kcal/mol:

-290.13

Dipole, Da:

15.81

IP(EA), eV:

 -9.08(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-(6-tert-butyl-4-ethoxypyridin-3-yl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C#CCNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations