Geometry & MOs

Info

ID:

328620

PubChem CID:

126726038

Reduced:

NC68H85 (1)

Stoich.:

AB68C85 (1)

Weight, g/mol:

572.212713

ΔHf, kcal/mol:

88.34

Dipole, Da:

2.32

IP(EA), eV:

 -8.22(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3,5-dimethylpiperidin-1-yl)sulfinyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-10-nitrosoanthracen-9-yl]hydroxylamine

Drug info:

PubChemData

Smile

CCCC(CC(C)(C)CC(CC)C1=CC=C(C=C1)C)C2=CC=C(C=C2)CCN(CC3C=CC4=C5C3=CCC6=CC=CC(=C65)C=C4)CC7=CC=C(C=C7)C(CC)CC(C)(C)CC(C)C8=CC=C(C=C8)C

DOS

IR

Vibrations