Geometry & MOs

Info

ID:

43899

PubChem CID:

10321953

Reduced:

FNSO7H18C22 (1)

Stoich.:

ABCD7E18F22 (1)

Weight, g/mol:

459.164165

ΔHf, kcal/mol:

-263.24

Dipole, Da:

7.0

IP(EA), eV:

 -9.0(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,4aS,5aR,6R,12aS)-9-amino-7-(dimethylamino)-4,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)NC(=O)C(=O)O)C)OC2=CC(=C(C=C2)O)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations