Geometry & MOs

Info

ID:

32366

PubChem CID:

6436728

Reduced:

NO3C22H41 (1)

Stoich.:

AB3C22D41 (1)

Weight, g/mol:

1172.12208

ΔHf, kcal/mol:

-177.85

Dipole, Da:

3.82

IP(EA), eV:

 -9.4(0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-(diethylamino)-6-[4-[(E)-2-[4-[[4-(diethylamino)-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\C/C=C\CCCCC(=O)N(CCO)CCO

DOS

IR

Vibrations