Geometry & MOs

Info

ID:

419960

PubChem CID:

135110234

Reduced:

O2N3C20H27 (1)

Stoich.:

A2B3C20D27 (1)

Weight, g/mol:

691.394499

ΔHf, kcal/mol:

-55.53

Dipole, Da:

5.44

IP(EA), eV:

 -8.61(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=C4C=CN(C4=CC=C3)C)CO

DOS

IR

Vibrations