Geometry & MOs

Info

ID:

438184

PubChem CID:

135227813

Reduced:

FON4H21C25 (1)

Stoich.:

ABC4D21E25 (1)

Weight, g/mol:

861.285223

ΔHf, kcal/mol:

62.78

Dipole, Da:

6.38

IP(EA), eV:

 -8.57(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-5-[4-[18-phenyl-27-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-9-yl]phenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N=C(N3C(C4=CC=CC=C4)C5=C(C=CC=N5)F)C

DOS

IR

Vibrations