Geometry & MOs

Info

ID:

421132

PubChem CID:

135115426

Reduced:

FN4O4C20H25 (1)

Stoich.:

AB4C4D20E25 (1)

Weight, g/mol:

607.336984

ΔHf, kcal/mol:

-137.59

Dipole, Da:

3.48

IP(EA), eV:

 -9.1(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-(2-methoxyacetyl)-10-methyl-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NCCCN2CCCC2=O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations