Geometry & MOs

Info

ID:

312100

PubChem CID:

126603181

Reduced:

N4O8H32C35 (1)

Stoich.:

A4B8C32D35 (1)

Weight, g/mol:

457.164914

ΔHf, kcal/mol:

-196.37

Dipole, Da:

14.99

IP(EA), eV:

 -8.6(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aR,5aR,12aR)-4-amino-7-fluoro-3,10,11-trihydroxy-1,12-dioxo-8-pyrrolidin-2-yl-4,4a,5,5a,6,12a-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1OCC[C@@H](CO)O)OC3=CN=C(C=C3)NC(=O)C4=CC5=C(CCCC5=O)N(C4=O)C6=CC=CC=C6

DOS

IR

Vibrations