Geometry & MOs

Info

ID:

328686

PubChem CID:

126726567

Reduced:

C8N9H14 (2)

Stoich.:

A8B9C14 (2)

Weight, g/mol:

564.209651

ΔHf, kcal/mol:

200.94

Dipole, Da:

3.34

IP(EA), eV:

 -6.92(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-ethylsulfanyl-2-N-[2-[[4-ethylsulfanyl-6-[2-[(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)N)NCCNC2=NC(=NC(=N2)NCCNC3=NC(=NC(=N3)N)N)N

DOS

IR

Vibrations