Geometry & MOs

Info

ID:

181585

PubChem CID:

76763411

Reduced:

ClSI2N2O3C35H39 (1)

Stoich.:

ABC2D2E3F35G39 (1)

Weight, g/mol:

620.157133

ΔHf, kcal/mol:

-5.24

Dipole, Da:

17.19

IP(EA), eV:

 -8.08(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-(3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl)oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCC[N+]1=C(C(C2=C1C=CC(=C2)I)(C)C)C=CC3=C(C(=CC=C4C(C5=C(N4CCS(=O)(=O)[O-])C=CC(=C5)I)(C)C)CCC3)Cl

DOS

IR

Vibrations