Geometry & MOs

Info

ID:

435712

PubChem CID:

135192235

Reduced:

FN3O5C36H40 (1)

Stoich.:

AB3C5D36E40 (1)

Weight, g/mol:

539.294806

ΔHf, kcal/mol:

168.17

Dipole, Da:

7.41

IP(EA), eV:

 -8.4(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(24E)-3-ethyl-18-fluoro-4,22,28-trimethyl-21,27-dioxa-1,6,8-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,7,9(34),10,12,14(33),15(20),16,18,24-undecaene

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C2C3=NC(=CN3C=C1C)C4=CC=CC(=C4)C5=C(C=C(C=C5)F)O[C@H](C/C=C/COC6(CCN2CC6)C)C)O

DOS

IR

Vibrations