Geometry & MOs

Info

ID:

423834

PubChem CID:

135120404

Reduced:

F3N3O3C17H26 (1)

Stoich.:

A3B3C3D17E26 (1)

Weight, g/mol:

704.346838

ΔHf, kcal/mol:

-321.07

Dipole, Da:

3.11

IP(EA), eV:

 -9.36(0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[(5-ethylpyridin-2-yl)methyl]-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCC(=O)N2CCCN(CC2)C(=O)CCC(F)(F)F

DOS

IR

Vibrations