Geometry & MOs

Info

ID:

418521

PubChem CID:

135105507

Reduced:

FN2O2C22H25 (1)

Stoich.:

AB2C2D22E25 (1)

Weight, g/mol:

718.416631

ΔHf, kcal/mol:

-106.44

Dipole, Da:

4.23

IP(EA), eV:

 -9.47(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)C(=O)NCC4=CC(=CC=C4)F

DOS

IR

Vibrations