Geometry & MOs

Info

ID:

315375

PubChem CID:

126625755

Reduced:

O2F4N5C23H23 (1)

Stoich.:

A2B4C5D23E23 (1)

Weight, g/mol:

605.969255

ΔHf, kcal/mol:

-172.69

Dipole, Da:

14.11

IP(EA), eV:

 -8.44(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-(5,12-dimethyl-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)thiophen-2-yl]-2,5-dimethyl-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)CN=C(NC1=C/C(=C\2/C=CC(=O)C(=C2)F)/NN1)NC(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations