Geometry & MOs

Info

ID:

190207

PubChem CID:

77968394

Reduced:

ClO2N5H20C21 (1)

Stoich.:

AB2C5D20E21 (1)

Weight, g/mol:

712.431024

ΔHf, kcal/mol:

49.26

Dipole, Da:

6.33

IP(EA), eV:

 -8.95(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7,13-trioxo-4,11-dioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2C#N)C3C=NNC3=C4C=C(C(=CC4=O)O)Cl

DOS

IR

Vibrations