Geometry & MOs

Info

ID:

314354

PubChem CID:

126621697

Reduced:

SN2H24C40 (1)

Stoich.:

AB2C24D40 (1)

Weight, g/mol:

792.234768

ΔHf, kcal/mol:

185.27

Dipole, Da:

2.31

IP(EA), eV:

 -7.83(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-[4-(9-phenylcarbazol-3-yl)phenanthro[9,10-d]pyrimidin-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

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N4C5=CC=CC=C5C6=C4C=C7C(=C6)C=CC8=C7SC9=CC=CC=C89)C1=CC=CC=C12

DOS

IR

Vibrations