Geometry & MOs

Info

ID:

309553

PubChem CID:

126548127

Reduced:

O4C27H28 (1)

Stoich.:

A4B27C28 (1)

Weight, g/mol:

562.234887

ΔHf, kcal/mol:

-83.0

Dipole, Da:

0.64

IP(EA), eV:

 -8.85(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-6-(hexylsulfanylmethyl)-3,5,10,11,12a-pentahydroxy-1,12-dioxo-3,4,4a,5,5a,6-hexahydro-2H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCCC1=CC=C(C=C1)/C(=C/C=C(\C)/C2=CC=C(C=C2)OC=O)/C=C

DOS

IR

Vibrations