Geometry & MOs

Info

ID:

186077

PubChem CID:

77386916

Reduced:

ClF2O7C22H25 (1)

Stoich.:

AB2C7D22E25 (1)

Weight, g/mol:

576.2584

ΔHf, kcal/mol:

-377.34

Dipole, Da:

6.97

IP(EA), eV:

 -9.09(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[12-ethyl-10-hydroxy-5-(hydroxymethyl)-8-methyl-10-[[(4-nitrobenzoyl)amino]methyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate

Drug info:

PubChemData

Smile

CCOC1=C(C(=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)(CO)CO)O)O)O)Cl)F)F

DOS

IR

Vibrations