Geometry & MOs

Info

ID:

14271

PubChem CID:

407585

Reduced:

NO4H12C21 (2)

Stoich.:

AB4C12D21 (2)

Weight, g/mol:

684.153266

ΔHf, kcal/mol:

-131.69

Dipole, Da:

3.11

IP(EA), eV:

 -8.91(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[4-[(2-carboxy-9,10-dioxoanthracen-1-yl)amino]phenyl]anilino]-9,10-dioxoanthracene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)O)NC4=CC=C(C=C4)C5=CC=C(C=C5)NC6=C(C=CC7=C6C(=O)C8=CC=CC=C8C7=O)C(=O)O

DOS

IR

Vibrations