Geometry & MOs

Info

ID:

324573

PubChem CID:

126677921

Reduced:

ON2H32C52 (1)

Stoich.:

AB2C32D52 (1)

Weight, g/mol:

732.288912

ΔHf, kcal/mol:

209.56

Dipole, Da:

4.83

IP(EA), eV:

 -7.91(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5C(C=C4)OC6=CC=CC=C56)C7=C3C8=C(C=C7)N(C9=CC=CC=C98)C1=CC2=C(C=C1)C1=CC=CC3=C1C2=CC=C3

DOS

IR

Vibrations