Geometry & MOs

Info

ID:

445036

PubChem CID:

135264329

Reduced:

SN4O5C41H50 (1)

Stoich.:

AB4C5D41E50 (1)

Weight, g/mol:

489.220498

ΔHf, kcal/mol:

-168.58

Dipole, Da:

7.24

IP(EA), eV:

 -8.76(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1E,3E)-4-[5-[(1Z)-buta-1,3-dienyl]pyridin-3-yl]hexa-1,3,5-trienyl]-6-phenylpyrrolo[3,2-c]carbazole

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C[C@@H](C(=O)N4CC[C@@H](C4)C(=O)O)NC(=O)C5=C(C=C(S5)C(C)(C)C)C

DOS

IR

Vibrations