Geometry & MOs

Info

ID:

26014

PubChem CID:

635922

Reduced:

N4C37H46 (2)

Stoich.:

A4B37C46 (2)

Weight, g/mol:

585.312205

ΔHf, kcal/mol:

244.78

Dipole, Da:

1.58

IP(EA), eV:

 -7.2(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-(5-chloro-2-phenyl-1H-imidazol-4-yl)phenyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=C(C(=C(N3)C(=C4C(=C(C(=CC5=C(C(=C(N5)C=C1N2)CC)CC)N4)CC)CC)C=CC6=C7C(=C(C(=N7)C=C8C(=C(C(=N8)C=C9C(=C(C(=N9)C=C1C(=C(C6=N1)CC)CC)CC)CC)CC)CC)CC)CC)CC)CC)CC

DOS

IR

Vibrations