Geometry & MOs

Info

ID:

445284

PubChem CID:

135265859

Reduced:

NBr2S6H37C40 (1)

Stoich.:

AB2C6D37E40 (1)

Weight, g/mol:

395.274819

ΔHf, kcal/mol:

196.3

Dipole, Da:

4.84

IP(EA), eV:

 -8.35(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(4E,5Z,8Z,10E)-4-ethylidene-9,11-difluoro-8-methyldodeca-5,8,10-trien-3-yl]amino]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCC1CSC(C=C2C1C(=CC=C2C3=CC=C(S3)C4=CC=C(S4)Br)C5=CC=C(/C(=C(\CC)/CS)/C5=N)C6=CC=C(S6)C7=CC=C(S7)Br)CC

DOS

IR

Vibrations