Geometry & MOs

Info

ID:

324751

PubChem CID:

126678268

Reduced:

ON2H18C30 (1)

Stoich.:

AB2C18D30 (1)

Weight, g/mol:

626.210661

ΔHf, kcal/mol:

111.93

Dipole, Da:

1.96

IP(EA), eV:

 -8.01(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=C2C5=C(C=C4)NC6=CC=CC=C65)C7=C(C=C3)C8=CC=CC=C8O7

DOS

IR

Vibrations