Geometry & MOs

Info

ID:

307983

PubChem CID:

125311147

Reduced:

IO3N4H15C19 (1)

Stoich.:

AB3C4D15E19 (1)

Weight, g/mol:

689.458784

ΔHf, kcal/mol:

40.46

Dipole, Da:

4.98

IP(EA), eV:

 -9.38(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5S,6R,9S,10R,13S,15R)-13-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-6,10-dimethyl-18-phenyl-16,18,20-triazahexacyclo[13.5.2.01,9.02,6.010,15.016,20]docos-21-ene-17,19-dione

Drug info:

PubChemData

Smile

CC1=NN=C(C1)C(=O)N/N=C\C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3I

DOS

IR

Vibrations