Geometry & MOs

Info

ID:

148684

PubChem CID:

53788352

Reduced:

O2C31H48 (1)

Stoich.:

A2B31C48 (1)

Weight, g/mol:

1014.444676

ΔHf, kcal/mol:

-111.62

Dipole, Da:

1.89

IP(EA), eV:

 -8.38(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[1-[2-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]-3-(4-chlorophenyl)-5-oxo-4H-pyrazol-4-yl]oxy]-5-methylphenyl]propyl 6-(2-phenylacetyl)benzotriazole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=C(C=C1)C(C)(C)C2=C(C(=C(C=C2)C(C)(C)C)O)C(C)(C)C)C(C)(C)C)O

DOS

IR

Vibrations