Geometry & MOs

Info

ID:

314369

PubChem CID:

126621715

Reduced:

SN3H23C40 (1)

Stoich.:

AB3C23D40 (1)

Weight, g/mol:

703.208219

ΔHf, kcal/mol:

207.93

Dipole, Da:

2.42

IP(EA), eV:

 -8.04(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-[1-(6-phenylnaphthalen-2-yl)benzo[f]quinazolin-3-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

C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC4=CC=CC=C43)N5C6=CC=CC=C6C7=C5C=C8C(=C7)C=CC9=C8SC1=CC=CC=C91

DOS

IR

Vibrations