Geometry & MOs

Info

ID:

405973

PubChem CID:

135076176

Reduced:

IOC18H22 (2)

Stoich.:

ABC18D22 (2)

Weight, g/mol:

570.04991

ΔHf, kcal/mol:

-15.2

Dipole, Da:

2.76

IP(EA), eV:

 -8.41(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-9-iodo-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC(CC)OC1=CC(=C(C=C1/C=C/C2=CC=C(C=C2)I)OC(CC)CCCC)/C=C/C3=CC=C(C=C3)I

DOS

IR

Vibrations