Geometry & MOs

Info

ID:

179599

PubChem CID:

76508648

Reduced:

O3N5H35C43 (1)

Stoich.:

A3B5C35D43 (1)

Weight, g/mol:

579.08524

ΔHf, kcal/mol:

119.61

Dipole, Da:

6.09

IP(EA), eV:

 -8.16(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(2-bromo-3-hydroxypropanoyl)amino]-4-(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

C1CNCCC1=C2C3=CC=C(N3)C(=C4C=CC(=O)C=C4)C5=CC=C(N5)C(=C6C=CC(=C(C7=CC=C2N7)C8=CC=C(C=C8)O)N6)C9=CC=C(C=C9)O

DOS

IR

Vibrations