Geometry & MOs

Info

ID:

11150

PubChem CID:

111495

Reduced:

S2N4O8C57H94 (1)

Stoich.:

A2B4C8D57E94 (1)

Weight, g/mol:

1026.651308

ΔHf, kcal/mol:

-415.78

Dipole, Da:

12.95

IP(EA), eV:

 -8.67(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid;N-nonylnonan-1-amine

Drug info:

PubChemData

Smile

CCCCCCCCCNCCCCCCCCC.CCCCCCCCCNCCCCCCCCC.CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations