Geometry & MOs

Info

ID:

11771

PubChem CID:

120791

Reduced:

N3O10C25H29 (1)

Stoich.:

A3B10C25D29 (1)

Weight, g/mol:

531.185294

ΔHf, kcal/mol:

-387.97

Dipole, Da:

10.14

IP(EA), eV:

 -9.34(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[[[(4S,4aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxymethyl]amino]methylamino]acetic acid

Drug info:

PubChemData

Smile

C[C@@]1(C2C[C@H]3[C@@H](C(=O)C(=C(NCNCC(=O)O)O)C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O

DOS

IR

Vibrations