Geometry & MOs

Info

ID:

416824

PubChem CID:

135090484

Reduced:

FN6O6C39H43 (1)

Stoich.:

AB6C6D39E43 (1)

Weight, g/mol:

491.216869

ΔHf, kcal/mol:

-220.86

Dipole, Da:

6.03

IP(EA), eV:

 -8.54(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,8S)-6-[3-(4-hydroxyphenyl)propanoyl]-9,18-dioxa-3,6,12,13,14-pentazatetracyclo[17.3.1.111,14.04,8]tetracosa-1(23),11(24),12,19,21-pentaen-2-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N1)O)CC3=CNC4=CC=CC=C43)C(=O)CCCC5=CC=C(C=C5)F)C6=CC=CC=C6

DOS

IR

Vibrations