Geometry & MOs

Info

ID:

314362

PubChem CID:

126621707

Reduced:

OSN3H27C46 (1)

Stoich.:

ABC3D27E46 (1)

Weight, g/mol:

627.176919

ΔHf, kcal/mol:

302.4

Dipole, Da:

5.34

IP(EA), eV:

 -8.23(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1C2C=CC3=C(C2=CC4=C1C5=CC=CC=C5N4C6=NC7=C(C=CC8=CC=CC=C87)C(=N6)C9=CC=CC1=C9OC2=CC=CC=C12)SC1=CC=CC=C31

DOS

IR

Vibrations