Geometry & MOs

Info

ID:

214676

PubChem CID:

85083382

Reduced:

N4O9C28H36 (1)

Stoich.:

A4B9C28D36 (1)

Weight, g/mol:

572.248229

ΔHf, kcal/mol:

-332.94

Dipole, Da:

14.9

IP(EA), eV:

 -9.05(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethylpropyl N-[4-(aminomethyl)-9-carbamoyl-7-(dimethylamino)-1,10a-dihydroxy-8,10,11,12-tetraoxo-5,5a,6,6a,7,11a-hexahydrotetracen-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN(CC)CC(=O)NC1=C(C2=C(C=C1)C(C3C(C4C(C(=O)C(C(=O)C4(C(=O)C3C2=O)O)C(=O)N)N(C)C)O)C)O

DOS

IR

Vibrations