Geometry & MOs

Info

ID:

127284

PubChem CID:

50997100

Reduced:

F4N4C23H24 (1)

Stoich.:

A4B4C23D24 (1)

Weight, g/mol:

720.30939

ΔHf, kcal/mol:

-135.07

Dipole, Da:

6.09

IP(EA), eV:

 -8.49(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,6R,15R)-11,16-dimethyl-N-(naphthalen-2-ylmethyl)-9,12,17-trioxo-6-(3-pyridin-4-ylpropanoylamino)-2-thia-8,11,16-triazatricyclo[16.3.1.04,8]docosa-1(21),18(22),19-triene-15-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC3=C(C=C(C=C3NCC4=CC=C(C=C4)F)C(F)(F)F)N=C2

DOS

IR

Vibrations