Geometry & MOs

Info

ID:

214675

PubChem CID:

85083381

Reduced:

PN2O6C32H33 (1)

Stoich.:

AB2C6D32E33 (1)

Weight, g/mol:

572.248229

ΔHf, kcal/mol:

-188.23

Dipole, Da:

3.34

IP(EA), eV:

 -8.66(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[[2-(diethylamino)acetyl]amino]-4-(dimethylamino)-5,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C(C3(C(N(P(=O)(N2CC4=CC=C(C=C4)O)O3)CC5=CC=C(C=C5)O)CC6=CC=CC=C6)O)O

DOS

IR

Vibrations