Geometry & MOs

Info

ID:

307679

PubChem CID:

125308016

Reduced:

O3N5C24H31 (1)

Stoich.:

A3B5C24D31 (1)

Weight, g/mol:

664.24037

ΔHf, kcal/mol:

-54.15

Dipole, Da:

5.14

IP(EA), eV:

 -8.96(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[amino-(4-chloroanilino)methylidene]-2-[6-[[4-(4-chloroanilino)-6-[(1S,2S,3S,4R)-1,2,3,4,5-pentahydroxypentyl]-1,3,5-triazin-2-yl]amino]hexyl]guanidine

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)N[C@@H]2CC(=NN2C3=NC(=O)[C@@H]4CCCCC4=N3)C5=CC=CO5

DOS

IR

Vibrations