Geometry & MOs

Info

ID:

311811

PubChem CID:

126597743

Reduced:

O2N6C17H20 (1)

Stoich.:

A2B6C17D20 (1)

Weight, g/mol:

554.24283

ΔHf, kcal/mol:

14.2

Dipole, Da:

5.04

IP(EA), eV:

 -8.49(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,12aR)-8-[[[(2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methylamino]methyl]-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3CCC4)C

DOS

IR

Vibrations