Geometry & MOs

Info

ID:

185535

PubChem CID:

77311214

Reduced:

SN5O5C29H39 (1)

Stoich.:

AB5C5D29E39 (1)

Weight, g/mol:

689.04066

ΔHf, kcal/mol:

-196.67

Dipole, Da:

3.75

IP(EA), eV:

 -8.71(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(2-bromobutanoylamino)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrobromide

Drug info:

PubChemData

Smile

CCCN1C(=O)C(NC(=O)C12CCN(CC2)C(=O)NC3=C(SC=C3)C)CCCCNC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations