Geometry & MOs

Info

ID:

300496

PubChem CID:

121360299

Reduced:

ClFSN4O5H30C32 (1)

Stoich.:

ABCD4E5F30G32 (1)

Weight, g/mol:

472.160935

ΔHf, kcal/mol:

-153.74

Dipole, Da:

4.18

IP(EA), eV:

 -8.93(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-6-[(2Z,4Z)-5-aminopenta-2,4-dienylidene]-4-[8-(2-ethenylanilino)dibenzothiophen-2-yl]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CNC(=O)C1=C(OC2=CC(=C(C=C21)[C@H]3CCCN(C3)C(=O)C4=CN5C(=C4)C=CC=C5Cl)N(C)S(=O)(=O)C)C6=CC=C(C=C6)F

DOS

IR

Vibrations