Geometry & MOs

Info

ID:

316463

PubChem CID:

126630958

Reduced:

N5O7C34H47 (1)

Stoich.:

A5B7C34D47 (1)

Weight, g/mol:

1122.263309

ΔHf, kcal/mol:

-291.76

Dipole, Da:

1.43

IP(EA), eV:

 -9.16(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[4,6-bis[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=CC(=C2)/C=C/[C@H](C(C)OC(=O)C(C)C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)N3CCCC(N3)C(=O)O)C=C1

DOS

IR

Vibrations