Geometry & MOs

Info

ID:

314355

PubChem CID:

126621698

Reduced:

SN4H32C56 (1)

Stoich.:

AB4C32D56 (1)

Weight, g/mol:

770.250418

ΔHf, kcal/mol:

281.08

Dipole, Da:

2.79

IP(EA), eV:

 -8.05(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-18-pyridin-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(21),17,19-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=NC(=NC5=C4C6=CC=CC=C6C7=CC=CC=C75)N8C9=CC=CC=C9C1=C8C=C3C(=C1)C=CC1=C3SC3=CC=CC=C13)C1=CC=CC=C12

DOS

IR

Vibrations