Geometry & MOs

Info

ID:

324780

PubChem CID:

126678339

Reduced:

ClPN5O5C35H41 (1)

Stoich.:

ABC5D5E35F41 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

-196.05

Dipole, Da:

6.9

IP(EA), eV:

 -8.84(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-phenylphenyl)-18-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

CCN1CCN(CC1)P(=O)(OCC2CN(CC(O2)N3C=C(C(=O)NC3=O)C)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)Cl

DOS

IR

Vibrations