Geometry & MOs

Info

ID:

320809

PubChem CID:

126663631

Reduced:

N7H13C15 (1)

Stoich.:

A7B13C15 (1)

Weight, g/mol:

620.264628

ΔHf, kcal/mol:

192.0

Dipole, Da:

4.34

IP(EA), eV:

 -9.11(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aR,5aR,12aS)-8-[[(2-amino-2-oxoethyl)-methylamino]methyl]-4-(dimethylamino)-7-fluoro-1-hydroxy-10-methoxy-12a-methyl-3,11-dioxo-12-phenoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CNC1=NC=NC(=C1C#C)C2=CN(N=C2)C(CC#N)CC#N

DOS

IR

Vibrations