Geometry & MOs

Info

ID:

377539

PubChem CID:

134223597

Reduced:

ClN20O43C137H215 (1)

Stoich.:

AB20C43D137E215 (1)

Weight, g/mol:

895.294725

ΔHf, kcal/mol:

-1848.69

Dipole, Da:

15.96

IP(EA), eV:

 -8.91(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN2C(=O)C=CC2=O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CN=CC=C4)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C

DOS

IR

Vibrations