Geometry & MOs

Info

ID:

329120

PubChem CID:

126731321

Reduced:

S3N5H31C50 (1)

Stoich.:

A3B5C31D50 (1)

Weight, g/mol:

444.243133

ΔHf, kcal/mol:

282.55

Dipole, Da:

3.37

IP(EA), eV:

 -7.74(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-[2-[[4-amino-6-[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]-1,3,5-triazine-2,4,6-triamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(N2C4=CC=CC=C4)C(=C5C(=C3N6C7=CC=CC=C7SC8=CC=CC=C86)SC(=N5)C9=CC=CC=C9)N1C2=CC=CC=C2SC2=CC=CC=C21

DOS

IR

Vibrations