Geometry & MOs

Info

ID:

316390

PubChem CID:

126630849

Reduced:

SN2H16C28 (2)

Stoich.:

AB2C16D28 (2)

Weight, g/mol:

997.30529

ΔHf, kcal/mol:

291.0

Dipole, Da:

3.62

IP(EA), eV:

 -8.24(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC6=CN=C(N=C6C=C5)C7=CC=C(C=C7)N8C9=CC=CC=C9C1=C8C2=C(C=C1)SC1=CC=CC=C12)C1=C(C=C3)SC2=CC=CC=C21

DOS

IR

Vibrations