Geometry & MOs

Info

ID:

163203

PubChem CID:

57654746

Reduced:

NSO3C53H69 (2)

Stoich.:

ABC3D53E69 (2)

Weight, g/mol:

686.371973

ΔHf, kcal/mol:

-278.08

Dipole, Da:

8.77

IP(EA), eV:

 -7.88(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(4-pentylcyclohexyl)phenyl] 1-amino-4-(4-butoxy-3,5-dimethylanilino)-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)COC2=C(C=C(C=C2C)C3=CC=C(C=C3)SC4=C5C(=C(C=C4)NC6=CC(=C(C(=C6)C)OCC7CCC(CC7)CCCCC)C)C(=O)C8=C(C=CC(=C8C5=O)NC9=CC(=C(C(=C9)C)OCC1CCC(CC1)CCCCC)C)SC1=CC=C(C=C1)C1=CC(=C(C(=C1)C)OCC1CCC(CC1)CCCCC)C)C

DOS

IR

Vibrations