Geometry & MOs

Info

ID:

315520

PubChem CID:

126627307

Reduced:

FN3O4C33H36 (1)

Stoich.:

AB3C4D33E36 (1)

Weight, g/mol:

543.253335

ΔHf, kcal/mol:

16.37

Dipole, Da:

5.51

IP(EA), eV:

 -8.39(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(17-fluoro-4,27-dimethyl-21,26-dioxa-1,6,33-triazahexacyclo[25.2.2.16,9.110,14.02,7.015,20]tritriaconta-2,4,7,9(33),10,12,14(32),15(20),16,18-decaen-3-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=CN2C3=CC(=N2)C4=CC=CC(=C4)C5=C(C=CC(=C5)F)OCCCCCOC6(CCN(C3=C1CC(=O)O)CC6)C

DOS

IR

Vibrations