Geometry & MOs

Info

ID:

315636

PubChem CID:

126628291

Reduced:

N5C16H26 (1)

Stoich.:

A5B16C26 (1)

Weight, g/mol:

435.78973

ΔHf, kcal/mol:

97.63

Dipole, Da:

0.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.774266

Charge, e:

 0

Chem-info

IUPAC name:

(2,6-dibromo-4-formyloxythieno[2,3-f][1]benzothiol-8-yl) formate

Drug info:

PubChemData

Smile

C[N+]1(CCCCCN(CC1)C2=NN3C=CC=CC3=C2N)C

DOS

IR

Vibrations