Geometry & MOs

Info

ID:

180576

PubChem CID:

76655098

Reduced:

ClFN5O6C26H29 (1)

Stoich.:

ABC5D6E26F29 (1)

Weight, g/mol:

455.268511

ΔHf, kcal/mol:

-207.63

Dipole, Da:

6.16

IP(EA), eV:

 -9.73(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-methyl-5,14,20,24,32-pentazapentacyclo[24.2.2.12,6.18,12.014,18]dotriaconta-1(29),2(32),3,5,8(31),9,11,26(30),27-nonaen-19-one

Drug info:

PubChemData

Smile

CC1(OCC(O1)CC(COC(=O)NC2=NOC(=N2)C3=CC=CC=C3)N(C)C(=O)NCC4=C(C(=CC=C4)F)Cl)C

DOS

IR

Vibrations