Geometry & MOs

Info

ID:

311752

PubChem CID:

126597629

Reduced:

ClO2N6C21H21 (1)

Stoich.:

AB2C6D21E21 (1)

Weight, g/mol:

578.223986

ΔHf, kcal/mol:

20.23

Dipole, Da:

1.77

IP(EA), eV:

 -8.53(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,12aR)-8-[[cyclohexylmethyl(methyl)amino]methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-(trifluoromethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)Cl)C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)NC5CCCCC5

DOS

IR

Vibrations