Geometry & MOs

Info

ID:

320864

PubChem CID:

126663957

Reduced:

IN2O2C13H21 (1)

Stoich.:

AB2C2D13E21 (1)

Weight, g/mol:

589.219093

ΔHf, kcal/mol:

-12.97

Dipole, Da:

4.47

IP(EA), eV:

 -9.42(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aS,5aR,12aR)-7-chloro-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-8-[[(5S)-4-hydroxy-5-methylazepan-1-yl]methyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1(CCCC1)OC(=O)C(C)(C23C(N2)N3)I

DOS

IR

Vibrations